SCHEMBL11774160

SCHEMBL11774160

BrCCCCCCCCCCCCOCc1ccc2c(c1)OCO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.49
▸ GBA1 P04062 1/20 0.45
▸ UGCG Q16739 1/20 0.45
▸ GBA2 Q9HCG7 1/20 0.45
▸ TAAR1 Q96RJ0 2/20 0.44
▸ FAAH O00519 1/20 0.44
▸ MGLL Q99685 1/20 0.44
▸ CALM1 P0DP23 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ SLC6A4 P31645 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ TSHR P16473 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41

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
SCHEMBL11773043 1.00 CYP3A4 (0.49) CYP3A4GBA1UGCGGBA2TAAR1
SCHEMBL11776252 1.00 CYP3A4 (0.49) CYP3A4GBA1UGCGGBA2TAAR1
SCHEMBL11776870 1.00 CYP3A4 (0.49) CYP3A4GBA1UGCGGBA2TAAR1
SCHEMBL11777492 1.00 CYP3A4 (0.49) CYP3A4GBA1UGCGGBA2TAAR1
SCHEMBL11775440 1.00 CYP3A4 (0.49) CYP3A4GBA1UGCGGBA2TAAR1
SCHEMBL11773030 1.00 CYP3A4 (0.49) CYP3A4GBA1UGCGGBA2TAAR1
SCHEMBL11774715 1.00 CYP3A4 (0.49) CYP3A4GBA1UGCGGBA2TAAR1
SCHEMBL11774893 1.00 CYP3A4 (0.49) CYP3A4GBA1UGCGGBA2TAAR1
SCHEMBL11772170 1.00 CYP3A4 (0.49) CYP3A4GBA1UGCGGBA2TAAR1
SCHEMBL7393834 0.98 CYP3A4 (0.50) CYP3A4GBA1UGCGGBA2TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3941884-A INSECTICIDE CHEVRON RESEARCH COMPANY (US) 1976-03-02 — — US disclosed
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