SCHEMBL3124375

SCHEMBL3124375

C=C(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4CCCC[C@]4(C)[C@H]3CC[C@]12C)C(C)C

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 7/20 0.74
EPHA2 P29317 3/20 0.74
HSD17B10 Q99714 3/20 0.74
TDP1 Q9NUW8 3/20 0.74
AKR1B10 O60218 2/20 0.74
AKR1B1 P15121 2/20 0.74
LMNA P02545 2/20 0.74
EFNA1 P20827 1/20 0.74
PSEN1 P49768 1/20 0.74
PSEN2 P49810 1/20 0.74
APH1B Q8WW43 1/20 0.74
NCSTN Q92542 1/20 0.74
APH1A Q96BI3 1/20 0.74
PSENEN Q9NZ42 1/20 0.74
MEN1 O00255 1/20 0.74
KMT2A Q03164 1/20 0.74
PTPN1 P18031 3/20 0.67
CASP7 P55210 3/20 0.55
TP53 P04637 2/20 0.55
MAPK1 P28482 2/20 0.55

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
SCHEMBL27612702 1.00 GPBAR1 (0.74) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL14378776 0.90 GPBAR1 (0.80) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL14397265 0.90 GPBAR1 (0.76) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL29768296 0.88 GPBAR1 (0.73) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL11291547 0.87 GPBAR1 (0.82) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL11132880 0.87 GPBAR1 (0.82) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL1358416 0.86 GPBAR1 (0.73) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL28179700 0.86 GPBAR1 (0.73) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL25515762 0.86 GPBAR1 (0.73) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL30277443 0.86 GPBAR1 (0.77) GPBAR1EPHA2HSD17B10TDP1AKR1B10

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
WO-2010009091-A2 ANTI-INFLAMMATORY AND ANTI-ALLERGY EXTRACTS FROM NETTLE HERBALSCIENCE GROUP, LLC (US) 2010-01-21 WO disclosed
US-20100009927-A1 Anti-Inflammatory and Anti-Allergy Extracts from Nettle HERBALSCIENCE GROUP LLC (US) 2010-01-14 US disclosed
CN-1583782-A Synthesis of 24-submethyl-cholesterol-5-ene-3 beta, 7 beta, 19-trialcohol UNIV ZHONGSHAN (CN) 2005-02-23 CN disclosed