SCHEMBL19957960

SCHEMBL19957960

COC(=O)CC[C@@H](C)[C@H]1CCC2C3CCC4C[C@@H](NCCNC(C)C)CC[C@]4(C)C3CC[C@@]21C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 5/20 0.70
▸ HIF1A Q16665 3/20 0.70
▸ VDR P11473 2/20 0.70
▸ CYP2C9 P11712 2/20 0.70
▸ MAPT P10636 3/20 0.56
▸ MAPK1 P28482 3/20 0.56
▸ USP2 O75604 3/20 0.56
▸ LMNA P02545 3/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ CASP7 P55210 3/20 0.55
▸ HSD17B10 Q99714 3/20 0.55
▸ TDP1 Q9NUW8 3/20 0.55
▸ TP53 P04637 2/20 0.55
▸ BLM P54132 2/20 0.55
▸ CYP3A4 P08684 2/20 0.55
▸ EPHA2 P29317 2/20 0.55
▸ AKR1B10 O60218 2/20 0.55
▸ AKR1B1 P15121 2/20 0.55
▸ MDM4 O15151 1/20 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
SCHEMBL25675177 1.00 GPBAR1 (0.70) GPBAR1HIF1AVDRCYP2C9MAPT
SCHEMBL16625425 1.00 GPBAR1 (0.70) GPBAR1HIF1AVDRCYP2C9MAPT
SCHEMBL18844067 1.00 GPBAR1 (0.70) GPBAR1HIF1AVDRCYP2C9MAPT
SCHEMBL15590970 1.00 GPBAR1 (0.70) GPBAR1HIF1AVDRCYP2C9MAPT
SCHEMBL21024308 1.00 GPBAR1 (0.70) GPBAR1HIF1AVDRCYP2C9MAPT
SCHEMBL21510894 1.00 GPBAR1 (0.70) GPBAR1HIF1AVDRCYP2C9MAPT
SCHEMBL21024480 1.00 GPBAR1 (0.70) GPBAR1HIF1AVDRCYP2C9MAPT
SCHEMBL21024186 1.00 GPBAR1 (0.70) GPBAR1HIF1AVDRCYP2C9MAPT
SCHEMBL21024314 1.00 GPBAR1 (0.70) GPBAR1HIF1AVDRCYP2C9MAPT
SCHEMBL16625422 1.00 GPBAR1 (0.70) GPBAR1HIF1AVDRCYP2C9MAPT

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
EP-2838907-B1 AMINOSTEROIDS FOR THE TREATMENT OF A PTP1B ASSOCIATED DISEASE OHR PHARMACEUTICAL INC (US) 2019-05-22 — — EP disclosed
EP-3293195-A1 COMPOUNDS FOR USE IN TREATING DIABETES OHR Pharmaceutical, Inc. (US) 2018-03-14 — — EP disclosed
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