SCHEMBL3192872

SCHEMBL3192872

C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC(=O)C4CC(O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.78
USP2 O75604 2/20 0.78
NPC1L1 Q9UHC9 1/20 0.78
GPBAR1 Q8TDU6 7/20 0.70
MAPT P10636 2/20 0.70
THRB P10828 1/20 0.70
CASP7 P55210 3/20 0.69
TDP1 Q9NUW8 3/20 0.69
NR1H4 Q96RI1 3/20 0.69
TP53 P04637 2/20 0.69
MAPK1 P28482 2/20 0.69
HSD17B10 Q99714 2/20 0.69
BLM P54132 2/20 0.69
EPHA2 P29317 2/20 0.69
MDM4 O15151 1/20 0.69
CYP3A4 P08684 1/20 0.69
HSPD1 P10809 1/20 0.69
VDR P11473 1/20 0.69
TSHR P16473 1/20 0.69
PTPN2 P17706 1/20 0.69

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
SCHEMBL14360882 1.00 LMNA (0.78) LMNAUSP2NPC1L1GPBAR1MAPT
SCHEMBL18092664 1.00 LMNA (0.78) LMNAUSP2NPC1L1GPBAR1MAPT
SCHEMBL1177397 1.00 LMNA (0.78) LMNAUSP2NPC1L1GPBAR1MAPT
SCHEMBL18092678 1.00 LMNA (0.78) LMNAUSP2NPC1L1GPBAR1MAPT
SCHEMBL11406748 1.00 LMNA (0.78) LMNAUSP2NPC1L1GPBAR1MAPT
SCHEMBL1177394 1.00 LMNA (0.78) LMNAUSP2NPC1L1GPBAR1MAPT
SCHEMBL18092622 1.00 LMNA (0.78) LMNAUSP2NPC1L1GPBAR1MAPT
SCHEMBL11408265 0.90 USP2 (0.75) LMNAUSP2NPC1L1GPBAR1MAPT
SCHEMBL26653550 0.89 NPC1L1 (0.88) LMNAUSP2NPC1L1GPBAR1MAPT
SCHEMBL26653612 0.89 USP2 (0.81) LMNAUSP2NPC1L1GPBAR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111233960-A Preparation method of 3-hydroxy-6-ketocholanic acid with low cost and high yield 上海慈瑞医药科技股份有限公司 2020-06-05 CN claimed
US-4486532-A IMMOBILIZATION OF FUMARASE-PRODUCING MICROORGANISM TNANBE SEIYAKU CO., LTD. (JP) 1984-12-04 US claimed
CN-111233960-A Preparation method of 3-hydroxy-6-ketocholanic acid with low cost and high yield 上海慈瑞医药科技股份有限公司 2020-06-05 CN disclosed
CN-111233960-A Preparation method of 3-hydroxy-6-ketocholanic acid with low cost and high yield 上海慈瑞医药科技股份有限公司 2020-06-05 CN disclosed
US-20100098788-A1 Extracts of Curcuma and Methods of Use Thereof HERBALSCIENCE GROUP, LLC 2010-04-22 US disclosed
US-20100028469-A1 Extracts of Cranberry and Methods of Using Thereof HERBALSCIENCE GROUP, LLC (US) 2010-02-04 US disclosed
US-4486532-A IMMOBILIZATION OF FUMARASE-PRODUCING MICROORGANISM TNANBE SEIYAKU CO., LTD. (JP) 1984-12-04 US disclosed
US-4460509-A STEROIDS WITH HETERO RING SIDE CHAIN BETH ISRAEL MEDICAL CENTER (US) 1984-07-17 US disclosed