SCHEMBL9503931

SCHEMBL9503931

OC(O)c1ccc(Cc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.57
IDH1 O75874 1/20 0.48
PLA2G10 O15496 1/20 0.47
PLA2G2A P14555 1/20 0.47
LMNA P02545 1/20 0.47
SLC22A2 O15244 1/20 0.45
LTA4H P09960 1/20 0.45
PPARG P37231 3/20 0.42
PPARA Q07869 3/20 0.42
BCL2 P10415 1/20 0.41
BCL2L1 Q07817 1/20 0.41
CYP2C9 P11712 1/20 0.41
HNF4A P41235 1/20 0.41
TSHR P16473 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
ACACB O00763 1/20 0.40
ACACA Q13085 1/20 0.40

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
SCHEMBL11511609 0.90 ESR1 (0.48) CALM1IDH1PLA2G10PLA2G2ALMNA
SCHEMBL3360010 0.84 CALM1 (0.55) CALM1IDH1PLA2G10PLA2G2ALMNA
SCHEMBL10515119 0.82 CALM1 (0.52) CALM1IDH1PLA2G10PLA2G2ALMNA
SCHEMBL972712 0.79 CALM1 (0.92) CALM1IDH1PLA2G10PLA2G2ALMNA
Diphenylmethane SCHEMBL10394702 0.79 CALM1 (0.92) CALM1IDH1PLA2G10PLA2G2ALMNA
SCHEMBL8094422 0.79 CALM1 (0.92) CALM1IDH1PLA2G10PLA2G2ALMNA
SCHEMBL6241441 0.79 LMNA (0.65) CALM1IDH1PLA2G10PLA2G2ALMNA
SCHEMBL9607168 0.79 LMNA (0.69) CALM1IDH1PLA2G10PLA2G2ALMNA
SCHEMBL28616587 0.79 CALM1 (0.48) CALM1IDH1LMNALTA4HCYP2C9
SCHEMBL11491767 0.79 LMNA (0.65) CALM1IDH1PLA2G10PLA2G2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0547116-A1 THERMOSETTING COMPOSITIONS BASED ON CYANATE ESTER COMPOUNDS AND POLYIMIDE COMPOUNDS HAVING DIORGANOPOLYSILOXANE GROUPING(S) CIBA-GEIGY AG (CH) 1993-06-23 EP disclosed
WO-1992004395-A1 THERMOSETTING COMPOSITIONS BASED ON CYANATE ESTER COMPOUNDS AND POLYIMIDE COMPOUNDS HAVING DIORGANOPOLYSILOXANE GROUPING(S) CIBA-GEIGY AG (CH) 1992-03-19 WO disclosed
EP-0000722-B1 PROCESS FOR THE PREPARATION OF POLYURETHANES CONTAINING ARYLSULFONIC ACID ALKYL ESTER GROUPS BAYER AG (DE) 1982-09-29 EP disclosed
US-4237250-A Polyurethanes containing aryl sulfonic acid alkyl ester groups BAYER AKTIENGESELLSCHAFT (DE) 1980-12-02 US disclosed
EP-0000722-A1 Process for the preparation of polyurethanes containing arylsulfonic acid alkyl ester groups BAYER AG (DE) 1979-02-21 EP disclosed