SCHEMBL9635360

SCHEMBL9635360

CCCCCCCCC(CCCCCC)[C](CC(CC)CCCC)CC(CCCC)CCCCCC

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
LMNA P02545 1/20 0.47
CA2 P00918 8/20 0.44
TDP1 Q9NUW8 1/20 0.42
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.39
CA1 P00915 3/20 0.38
DNM1 Q05193 1/20 0.37
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
GPR84 Q9NQS5 3/20 0.36

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
SCHEMBL5222189 0.92 LMNA (0.54) ALDH1A1LMNACA2GPR84
SCHEMBL4655341 0.86 ALDH1A1 (0.52) ALDH1A1LMNACA2TDP1CYP3A4
SCHEMBL1116216 0.76 ALDH1A1 (0.59) ALDH1A1LMNACA2TDP1CYP3A4
SCHEMBL20746322 0.76 ALDH1A1 (0.59) ALDH1A1LMNACA2TDP1CYP3A4
SCHEMBL9092266 0.76 ALDH1A1 (0.59) ALDH1A1LMNACA2TDP1CYP3A4
SCHEMBL6011969 0.76 ALDH1A1 (0.59) ALDH1A1LMNACA2TDP1CYP3A4
SCHEMBL6011884 0.76 ALDH1A1 (0.59) ALDH1A1LMNACA2TDP1CYP3A4
SCHEMBL20746352 0.76 ALDH1A1 (0.59) ALDH1A1LMNACA2TDP1CYP3A4
SCHEMBL3689153 0.76 ALDH1A1 (0.59) ALDH1A1LMNACA2TDP1CYP3A4
SCHEMBL14125873 0.76 ALDH1A1 (0.59) ALDH1A1LMNACA2TDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0162016-B1 ADDITIVES FOR MATERIALS CIBA-GEIGY AG (CH) 1992-06-03 EP claimed
EP-0162016-A2 Additives for materials CIBA-GEIGY AG (CH) 1985-11-21 EP claimed