SCHEMBL11032684

SCHEMBL11032684

C=CCOC(=O)c1ccc(N)cc1CCCCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.48
ALDH1A1 P00352 4/20 0.48
HSD17B10 Q99714 3/20 0.48
CYP3A4 P08684 3/20 0.47
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
THRA P10827 5/20 0.40
THRB P10828 5/20 0.40
CYP1A2 P05177 2/20 0.40
LMNA P02545 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PDE4D Q08499 1/20 0.40
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
CYP2D6 P10635 1/20 0.39
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39

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
SCHEMBL10982129 0.91 ALDH1A1 (0.51) TSHRALDH1A1HSD17B10CYP3A4NPC1
SCHEMBL3859566 0.83 CYP3A4 (0.62) TSHRALDH1A1HSD17B10CYP3A4THRA
SCHEMBL9307300 0.82 LMNA (0.49) TSHRALDH1A1HSD17B10CYP3A4NPC1
SCHEMBL10336950 0.81 HSD17B10 (0.55) TSHRALDH1A1HSD17B10CYP3A4MAPT
SCHEMBL5102454 0.79 CYP3A4 (0.64) TSHRALDH1A1HSD17B10CYP3A4MAPT
SCHEMBL27666844 0.79 CYP3A4 (0.64) TSHRALDH1A1HSD17B10CYP3A4MAPT
SCHEMBL3945760 0.78 ALDH1A1 (0.55) TSHRALDH1A1HSD17B10CYP3A4NPC1
SCHEMBL2481632 0.78 GABRP (0.54) ALDH1A1CYP3A4MAPTKDM4E
SCHEMBL8191128 0.76 LMNA (0.51) TSHRALDH1A1HSD17B10CYP3A4NPC1
SCHEMBL9068637 0.76 PPARA (0.54) ALDH1A1CYP3A4MAPTKDM4E

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
US-4529602-A Sulfodehydroabietic acid compound TANABE SEIYAKU CO., LTD. (JP) 1985-07-16 US disclosed
EP-0078152-A1 Salts of sulfodehydroabietic acid and treatment of gastro-intestinal diseases Tanabe Seiyaku Co., Ltd. (JP) 1983-05-04 EP disclosed