SCHEMBL6913431

SCHEMBL6913431

CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCCC(C)(C)C5CC[C@]43C)[C@@H]2C1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 6/20 0.73
▸ PTPN2 P17706 4/20 0.73
▸ USP2 O75604 1/20 0.69
▸ CES1 P23141 5/20 0.67
▸ CES2 O00748 3/20 0.67
▸ ALOX5 P09917 4/20 0.64
▸ ALOX15 P16050 1/20 0.62
▸ MEN1 O00255 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ AKR1B10 O60218 3/20 0.53
▸ AKR1B1 P15121 1/20 0.53
▸ POLB P06746 3/20 0.52
▸ PSMB11 A5LHX3 2/20 0.52
▸ PSMA7 O14818 2/20 0.52
▸ PLA2G1B P04054 2/20 0.52
▸ PTPRC P08575 2/20 0.52
▸ PTPRF P10586 2/20 0.52
▸ F3 P13726 2/20 0.52
▸ PSMB1 P20618 2/20 0.52
▸ ACP1 P24666 2/20 0.52

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
SCHEMBL974587 1.00 PTPN1 (0.73) PTPN1PTPN2USP2CES1CES2
SCHEMBL31593848 1.00 PTPN1 (0.73) PTPN1PTPN2USP2CES1CES2
SCHEMBL974588 1.00 PTPN1 (0.73) PTPN1PTPN2USP2CES1CES2
SCHEMBL29624157 0.87 PTPN1 (0.62) PTPN1PTPN2USP2CES1CES2
SCHEMBL1649012 0.86 CES2 (0.74) PTPN1PTPN2USP2CES1CES2
SCHEMBL1050323 0.86 CES2 (0.74) PTPN1PTPN2USP2CES1CES2
SCHEMBL1649013 0.86 CES2 (0.74) PTPN1PTPN2USP2CES1CES2
SCHEMBL1721910 0.85 PTPN1 (0.63) PTPN1PTPN2USP2CES1CES2
SCHEMBL178210 0.85 PTPN1 (1.00) PTPN1PTPN2USP2CES1ALOX5
SCHEMBL178211 0.85 PTPN1 (1.00) PTPN1PTPN2USP2CES1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-63057519-A — — None — — JP disclosed
WO-2004082717-A1 PERCUTANEOUSLY ABSORBABLE ANESTHETIC NAKANO MASAHIRO (JP) 2004-09-30 — — WO disclosed
US-5622942-A SUCH AS GLYCYRRHIZIN, GLYCYRRHETIC ACID OR ESTER MINOPHAGEN PHARMACEUTICAL COMPANY (JP) 1997-04-22 — — US disclosed
JP-S6357519-A AGENT FOR SUPPRESSING CARCINOGENIC PROMOTOR MINOFUAAGEN SEIYAKU HONPO:GOUSHI 1988-03-12 — — JP disclosed
Send feedback