SCHEMBL8035905

SCHEMBL8035905

CCCCCOC[C@H]1CC[C@H](c2ccc(C(=O)Oc3ccc(C#N)c(F)c3)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 3/20 0.37
NPC1 O15118 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 5/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RAB9A P51151 1/20 0.35
KMT2A Q03164 3/20 0.35
PRSS1 P07477 2/20 0.35
ACR P10323 2/20 0.35
MEN1 O00255 1/20 0.35
TRPV4 Q9HBA0 1/20 0.35

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
SCHEMBL10785483 1.00 ALDH1A1 (0.40) ALDH1A1HPGDLMNANPC1CYP2C9
SCHEMBL10785107 0.99 ALDH1A1 (0.41) ALDH1A1HPGDLMNANPC1CYP2C9
SCHEMBL10782595 0.99 ALDH1A1 (0.41) ALDH1A1HPGDLMNANPC1CYP2C9
SCHEMBL10785115 0.99 ALDH1A1 (0.41) ALDH1A1HPGDLMNANPC1CYP2C9
SCHEMBL10782587 0.99 ALDH1A1 (0.41) ALDH1A1HPGDLMNANPC1CYP2C9
SCHEMBL10785545 0.99 ALDH1A1 (0.41) ALDH1A1HPGDLMNANPC1CYP2C9
SCHEMBL10785684 0.99 ALDH1A1 (0.41) ALDH1A1HPGDLMNANPC1CYP2C9
SCHEMBL10782607 0.99 ALDH1A1 (0.41) ALDH1A1HPGDLMNANPC1CYP2C9
SCHEMBL10785549 0.99 ALDH1A1 (0.41) ALDH1A1HPGDLMNANPC1CYP2C9
SCHEMBL10785691 0.99 ALDH1A1 (0.41) ALDH1A1HPGDLMNANPC1CYP2C9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6068835-A APPLYING HAIR COSMETIC TO HAND-TOWEL DRIED HAIR CONTAINING DENDRIMER POLYMER POLY(IMINOPROPANE-1,3-DIYL)-DENDRIMER WITH NITRILE AND/OR AMINO END GROUPS, ALLOWING HAIR COSMETIC TO REMAIN ON HAIR FOR 3-15 MINUTE, RINSING AND DRYING THE HAIR WELLA AKTIENGESELLSCHAFT (DE) 2000-05-30 US disclosed
EP-0700982-A1 A liquid crystal composition and a liquid crystal display element using the same Chisso Corporation (JP) 1996-03-13 EP disclosed
EP-0155792-B1 BENZOATE DERIVATIVES HAVING POSITIVE DIELECTRIC ANISOTROPY AND LIQUID CRYSTAL COMPOSITIONS CONTAINING THEM Chisso Corporation (JP) 1987-06-16 EP disclosed
US-4661283-A Benzoate derivatives having a large positive dielectric anisotropy value and liquid crystal compositions containing same CHISSO CORPORATION (JP) 1987-04-28 US disclosed
EP-0155792-A1 Benzoate derivatives having positive dielectric anisotropy and liquid crystal compositions containing them Chisso Corporation (JP) 1985-09-25 EP disclosed