SCHEMBL9707067

SCHEMBL9707067

CC(CSc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)N1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ MAPT P10636 3/20 0.40
▸ HPN P05981 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ SIRT5 Q9NXA8 1/20 0.40
▸ VCAM1 P19320 6/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HPGD P15428 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.36
▸ CACNA1A O00555 1/20 0.36
▸ CACNA2D1 P54289 1/20 0.36
▸ CACNB1 Q02641 1/20 0.36
▸ RBP4 P02753 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
SCHEMBL9707080 0.82 HPGD (0.39) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL9328163 0.79 HPN (0.47) ALDH1A1TDP1MAPTHPNALOX15
SCHEMBL9707047 0.77 HSD17B10 (0.42) ALDH1A1MEN1KMT2AHPGDHSD17B10
SCHEMBL9707036 0.76 ALDH1A1 (0.57) KDM4EALDH1A1TDP1MAPTHPN
SCHEMBL10685089 0.76 ALOX15 (0.53) ALDH1A1MAPTHPNALOX15SIRT5
SCHEMBL9707081 0.74 CACNA1A (0.46) KDM4EALDH1A1TDP1MAPTHPN
SCHEMBL11603987 0.74 ALOX15 (0.55) ALDH1A1MAPTHPNALOX15SIRT5
SCHEMBL10677513 0.73 VCAM1 (0.42) ALDH1A1TDP1MAPTHPNALOX15
SCHEMBL10356707 0.70 VCAM1 (0.44) ALDH1A1TDP1MAPTHPNALOX15
SCHEMBL9484852 0.70 ALOX15 (0.50) KDM4EALDH1A1MAPTHPNALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0190685-B1 HETEROCYCLIC AMIDES G.D. Searle & Co. (US) 1992-07-01 — — EP claimed
US-4959364-A Method of treating inflammation, allergy, asthma and proliferative skin disease using heterocyclic amides G. D. SEARLE & CO. (US) 1990-09-25 — — US claimed
EP-0190685-A2 Heterocyclic amides G.D. Searle & Co. (US) 1986-08-13 — — EP claimed
EP-0190685-B1 HETEROCYCLIC AMIDES G.D. Searle & Co. (US) 1992-07-01 — — EP disclosed
US-4981853-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS G. D. SEARLE & CO. (US) 1991-01-01 — — US disclosed
US-4959364-A Method of treating inflammation, allergy, asthma and proliferative skin disease using heterocyclic amides G. D. SEARLE & CO. (US) 1990-09-25 — — US disclosed
EP-0190685-A2 Heterocyclic amides G.D. Searle & Co. (US) 1986-08-13 — — EP disclosed
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