SCHEMBL9681362

SCHEMBL9681362

COc1ccccc1C1(O)C=CC(C(=O)O)C=C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
SIGMAR1 Q99720 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA12 O43570 1/20 0.39
CA14 Q9ULX7 1/20 0.39
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38
HTT P42858 2/20 0.37

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
SCHEMBL5696701 0.85 HTT (0.42) KMT2ASIGMAR1CHRM2CHRM4CHRM5
SCHEMBL9330548 0.81 KDM4E (0.40) KMT2ACHRM2POLBSMN1; SMN2OPRK1
SCHEMBL9683488 0.80 GRIN2B (0.40) OPRM1OPRD1OPRK1OPRL1TDP1
SCHEMBL9152803 0.79 MEN1 (0.47) KMT2ACHRM2OPRK1LMNA
SCHEMBL900832 0.78 MEN1 (0.37) KMT2ACA1CA2CA7CA9
SCHEMBL5144549 0.74 CHRM2 (0.39) KMT2ASIGMAR1CHRM2CHRM4CHRM5
SCHEMBL20957985 0.72 ALDH1A1 (0.54) POLBALDH1A1KDM4EHSD17B10TDP1
SCHEMBL9683216 0.71 TSHR (0.35) KMT2ACHRM1CA1CA2CA7
SCHEMBL7427848 0.70 SMN1; SMN2 (0.39) KMT2ASMN1; SMN2HTTALDH1A1KDM4E
SCHEMBL10480053 0.69 PTGS2 (0.42) KMT2ACHRM2CHRM1SMN1; SMN2HTT

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
JP-2060923-A None JP disclosed
US-5089590-A LIQUID CRYSTALLINE COMPOUNDS, THEIR PRODUCTION AND THEIR USE AS MODIFIERS FOR POLYCARBONATES, POLYESTER CARBONATES AND POLYESTERS BAYER AKTIENGESELLSCHAFT (DE) 1992-02-18 US disclosed
US-5084549-A Aromatic polyesters as thermoplastic molding materials BAYER AKTIENGESELLSCHAFT (DE) 1992-01-28 US disclosed
US-5043403-A Polycarbonates containing mesogenic compounds as end groups, their preparation and their use BAYER AKTIENGESELLSCHAFT (DE) 1991-08-27 US disclosed
JP-H0260923-A POLYCARBONATE CONTAINING MESOGENIC COMPOUNDS AS TERMINAL GROUP, AND ITS MANUFACTURE AND USE THEREOF BAYER AG 1990-03-01 JP disclosed