SCHEMBL13324310

SCHEMBL13324310

CC(C)[C@@H](C)/C=C/[C@@H](C)C1CCC2C3CCC4CC(O)CC[C@]4(C)C3CC[C@@]21C

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 9/20 0.72
▸ LMNA P02545 4/20 0.72
▸ HSD17B10 Q99714 3/20 0.57
▸ CYP3A4 P08684 2/20 0.57
▸ TSHR P16473 2/20 0.57
▸ CYP2C9 P11712 2/20 0.57
▸ SHBG P04278 1/20 0.57
▸ SERPINA6 P08185 1/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ CASP7 P55210 3/20 0.57
▸ TP53 P04637 2/20 0.57
▸ MAPK1 P28482 2/20 0.57
▸ BLM P54132 2/20 0.57
▸ TDP1 Q9NUW8 2/20 0.57
▸ VDR P11473 2/20 0.57
▸ HIF1A Q16665 2/20 0.57
▸ MDM4 O15151 1/20 0.57
▸ MAPT P10636 1/20 0.57
▸ HSPD1 P10809 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
SCHEMBL3192865 1.00 GPBAR1 (0.72) GPBAR1LMNAHSD17B10CYP3A4TSHR
SCHEMBL29618946 1.00 GPBAR1 (0.72) GPBAR1LMNAHSD17B10CYP3A4TSHR
SCHEMBL3192871 1.00 GPBAR1 (0.72) GPBAR1LMNAHSD17B10CYP3A4TSHR
SCHEMBL16867281 1.00 GPBAR1 (0.72) GPBAR1LMNAHSD17B10CYP3A4TSHR
SCHEMBL13324281 1.00 GPBAR1 (0.72) GPBAR1LMNAHSD17B10CYP3A4TSHR
SCHEMBL1236731 0.87 GPBAR1 (0.66) GPBAR1LMNAHSD17B10CYP3A4TSHR
SCHEMBL21955546 0.87 GPBAR1 (0.54) GPBAR1LMNAHSD17B10CYP3A4TSHR
SCHEMBL13358160 0.87 GPBAR1 (0.66) GPBAR1LMNAHSD17B10CYP3A4TSHR
SCHEMBL21955548 0.87 GPBAR1 (0.54) GPBAR1LMNAHSD17B10CYP3A4TSHR
SCHEMBL21955547 0.87 GPBAR1 (0.54) GPBAR1LMNAHSD17B10CYP3A4TSHR

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-7709666-B2 Transgenic plants containing altered levels of sterol compounds and tocopherols MONSANTO TECHNOLOGY LLC (US) 2010-05-04 — — US disclosed
US-7709666-B2 Transgenic plants containing altered levels of sterol compounds and tocopherols MONSANTO TECHNOLOGY LLC (US) 2010-05-04 — — US disclosed
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