SCHEMBL6560685

SCHEMBL6560685

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4CC(O)CC[C@]4(C)[C@H]3CC(O)[C@]12C

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 8/20 0.74
▸ SLC10A2 Q12908 2/20 0.74
▸ NR1H4 Q96RI1 2/20 0.74
▸ TBXA2R P21731 1/20 0.74
▸ PDE3A Q14432 1/20 0.74
▸ CYP8B1 Q9UNU6 1/20 0.73
▸ MAPT P10636 3/20 0.71
▸ MAPK1 P28482 3/20 0.71
▸ MEN1 O00255 1/20 0.71
▸ KMT2A Q03164 1/20 0.71
▸ USP2 O75604 1/20 0.71
▸ LMNA P02545 1/20 0.71
▸ ABCC4 O15439 1/20 0.62
▸ OSBP P22059 1/20 0.60
▸ OSBP2 Q969R2 1/20 0.60
▸ ST6GAL1 P15907 1/20 0.58
▸ CYP2D6 P10635 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ CA1 P00915 1/20 0.57
▸ CA2 P00918 1/20 0.57

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
SCHEMBL16226880 1.00 GPBAR1 (0.74) GPBAR1SLC10A2NR1H4TBXA2RPDE3A
SCHEMBL12290838 1.00 GPBAR1 (0.74) GPBAR1SLC10A2NR1H4TBXA2RPDE3A
SCHEMBL14511236 0.94 GPBAR1 (0.77) GPBAR1SLC10A2NR1H4TBXA2RPDE3A
SCHEMBL13469130 0.94 GPBAR1 (0.77) GPBAR1SLC10A2NR1H4TBXA2RPDE3A
SCHEMBL21250739 0.94 GPBAR1 (0.77) GPBAR1SLC10A2NR1H4TBXA2RPDE3A
SCHEMBL13453136 0.94 GPBAR1 (0.77) GPBAR1SLC10A2NR1H4TBXA2RPDE3A
SCHEMBL12362177 0.94 GPBAR1 (0.77) GPBAR1SLC10A2NR1H4TBXA2RPDE3A
SCHEMBL22278853 0.94 GPBAR1 (0.77) GPBAR1SLC10A2NR1H4TBXA2RPDE3A
SCHEMBL19519612 0.92 GPBAR1 (0.74) GPBAR1SLC10A2NR1H4TBXA2RPDE3A
SCHEMBL9323398 0.92 GPBAR1 (0.74) GPBAR1SLC10A2NR1H4TBXA2RPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0735403-B1 Liquid crystal orienting agent JSR CORP (JP) 2004-03-17 — — EP disclosed
US-5700860-A Liquid crystal orienting agent JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1997-12-23 — — US disclosed
EP-0735403-A1 Liquid crystal orienting agent JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1996-10-02 — — EP disclosed
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