SCHEMBL8568002

SCHEMBL8568002

CC(=O)C1C[C@@H](O)C[C@H]2CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(=O)OC(C)(C)C)[C@@]4(C)CC[C@@H]3[C@@]12C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.61
VDR P11473 4/20 0.61
HIF1A Q16665 3/20 0.61
CYP2C9 P11712 2/20 0.61
EPHA2 P29317 4/20 0.56
CASP7 P55210 3/20 0.56
MAPK1 P28482 3/20 0.56
USP2 O75604 3/20 0.56
MAPT P10636 3/20 0.56
TP53 P04637 2/20 0.56
HSD17B10 Q99714 2/20 0.56
BLM P54132 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
CYP3A4 P08684 2/20 0.56
LMNA P02545 2/20 0.56
MDM4 O15151 1/20 0.56
HSPD1 P10809 1/20 0.56
TSHR P16473 1/20 0.56
PTPN2 P17706 1/20 0.56
PTPN1 P18031 1/20 0.56

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
SCHEMBL8568004 1.00 GPBAR1 (0.61) GPBAR1VDRHIF1ACYP2C9EPHA2
SCHEMBL1133762 0.91 GPBAR1 (0.58) GPBAR1VDRHIF1ACYP2C9EPHA2
SCHEMBL1133763 0.91 GPBAR1 (0.58) GPBAR1VDRHIF1ACYP2C9EPHA2
SCHEMBL5577551 0.87 GPBAR1 (0.73) GPBAR1VDRHIF1AEPHA2CASP7
SCHEMBL11525625 0.87 GPBAR1 (0.62) GPBAR1VDRHIF1ACYP2C9EPHA2
SCHEMBL11525628 0.87 GPBAR1 (0.62) GPBAR1VDRHIF1ACYP2C9EPHA2
SCHEMBL5577556 0.87 GPBAR1 (0.73) GPBAR1VDRHIF1AEPHA2CASP7
SCHEMBL18575950 0.86 GPBAR1 (0.80) GPBAR1VDRHIF1ACYP2C9EPHA2
SCHEMBL22871996 0.86 GPBAR1 (0.80) GPBAR1VDRHIF1ACYP2C9EPHA2
SCHEMBL22871867 0.86 GPBAR1 (0.80) GPBAR1VDRHIF1ACYP2C9EPHA2

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-5786131-A COATING SUBSTRATE WITH FILM COMPRISING RADIATION SENSITIVE ACID GENERATOR, ANDROSTANE-17-ALKYLCARBOXYLATE, AND ACRYLIC POLYMER, EXPOSING, DEVELOPING INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1998-07-28 US claimed
EP-0690348-A2 Photoresist composition for deep ultraviolet radiation and process for its use International Business Machines Corporation (US) 1996-01-03 EP claimed