SCHEMBL3237346

SCHEMBL3237346

c1cn(CC2OCCO2)cn1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2B6 P20813 1/20 0.56
ALDH1A1 P00352 1/20 0.42
TBXAS1 P24557 3/20 0.42
FDPS P14324 3/20 0.41
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
CYP19A1 P11511 2/20 0.40
EGLN3 Q9H6Z9 1/20 0.40
GGPS1 O95749 3/20 0.40
BTN3A1 O00481 1/20 0.40
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
LMNA P02545 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP14 P50281 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL410402 0.98 CYP2B6 (0.55) CYP2B6ALDH1A1TBXAS1FDPSCYP11B1
SCHEMBL16608340 0.92 CYP2B6 (0.58) CYP2B6ALDH1A1TBXAS1FDPSCYP11B1
SCHEMBL7040988 0.81 TBXAS1 (0.48) CYP2B6ALDH1A1TBXAS1FDPSCYP19A1
SCHEMBL11009825 0.80 CYP2B6 (0.49) CYP2B6ALDH1A1TBXAS1CYP11B1CYP11B2
SCHEMBL29079742 0.78 CYP2B6 (0.55) CYP2B6ALDH1A1TBXAS1FDPSCYP11B1
SCHEMBL29111008 0.78 CYP2B6 (0.55) CYP2B6ALDH1A1TBXAS1FDPSCYP11B1
SCHEMBL27663893 0.78 CYP2B6 (0.50) CYP2B6ALDH1A1TBXAS1FDPSCYP11B1
SCHEMBL9634683 0.78
SCHEMBL3019994 0.77
SCHEMBL8001458 0.77 CYP2B6 (0.45) CYP2B6ALDH1A1TBXAS1FDPSCYP11B1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 127 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050238597-A1 Topical treatment of acne, seborrheic dermatitis, and oily skin with formulations containing histamine antagonists DISCOVERY PARTNERS LLC 2005-10-27 US claimed
EP-0094052-A2 1-(1,3-Dioxolan-2-yl-methyl)-1H-imidazoles and -1H-1,2,4-triazoles and their salts, process for their preparation, compositions containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1983-11-16 EP claimed
JP-58206583-A None JP disclosed
CN-119997951-A Method for preventing, alleviating and/or treating PTGS 2-induced skin disorders and related dysfunctions 西姆莱斯股份公司 2025-05-13 CN disclosed
CN-119968452-A Perfume mixture (VI) 西姆莱斯股份公司 2025-05-09 CN disclosed
CN-119790128-A Perfume mixture (III) 西姆莱斯股份公司 2025-04-08 CN disclosed
CN-119317696-A Perfume mixture (V) 西姆莱斯股份公司 2025-01-14 CN disclosed
CN-119317695-A Perfume mixture (V) 西姆莱斯股份公司 2025-01-14 CN disclosed
CN-119255980-A Perfume with cyclopropyl structure 西姆莱斯股份公司 2025-01-03 CN disclosed
CN-118922168-A Sun cream additive 西姆莱斯股份公司 2024-11-08 CN disclosed
CN-118891030-A Hair care compositions 西姆莱斯股份公司 2024-11-01 CN disclosed
EP-0006712-A1 Heterocyclic derivatives of (4-aryloxymethyl-1.3-dioxolan-2-yl) methyl-1H-imidazoles and -1H-1.2.4-triazoles, their preparation and the derivatives for use as fungicides and bactericides JANSSEN PHARMACEUTICA N.V. (BE) 1980-01-09 EP disclosed
EP-0006711-A1 Heterocyclic derivatives of (4-phenylpiperazin-1-yl-aryloxymethyl-1,3-dioxolan-2-yl)-methyl-1H-imidazoles and 1H-1,2,4-triazoles, processes for preparing them and compositions containing them JANSSEN PHARMACEUTICA N.V. (BE) 1980-01-09 EP disclosed
EP-0006722-A1 Derivatives of (4-(piperazin-1-yl-phenyloxymethyl)-1.3-dioxolan-2-ylmethyl)-1H-imidazoles and -1H-1.2.4-triazoles, their preparation and use as fungicides and bactericides JANSSEN PHARMACEUTICA N.V. (BE) 1980-01-09 EP disclosed
US-4160841-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA, N.V. (BE) 1979-07-10 US disclosed
US-4160841-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA, N.V. (BE) 1979-07-10 US disclosed
US-4160841-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA, N.V. (BE) 1979-07-10 US disclosed
US-4144346-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1979-03-13 US disclosed
US-4144346-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1979-03-13 US disclosed
US-4144346-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1979-03-13 US disclosed