SCHEMBL9762995

SCHEMBL9762995

OC(CCCOc1ccccc1)Oc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.56
ALDH1A1 P00352 1/20 0.50
RECQL P46063 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46

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
SCHEMBL9763097 0.93 KCNA3 (0.57) KCNA3ALDH1A1RECQLTDP1PPARG
SCHEMBL9987936 0.90 KCNA3 (0.52) KCNA3ALDH1A1RECQLTDP1PPARG
SCHEMBL15209085 0.82 ALDH1A1 (0.42) KCNA3ALDH1A1RECQLTDP1PPARG
SCHEMBL10407110 0.82 DRD4 (0.53) KCNA3ALDH1A1RECQLPPARGPPARA
SCHEMBL7120293 0.82 LMNA (0.49) ALDH1A1RECQLL3MBTL1LMNA
SCHEMBL59745 0.81 LTA4H (0.44) ALDH1A1TDP1PPARGPPARALMNA
SCHEMBL7593345 0.79 CSNK1E (0.45) ALDH1A1DRD2DRD3LMNALTA4H
SCHEMBL9763095 0.78 KCNA3 (0.58) KCNA3ALDH1A1RECQLTDP1PPARG
SCHEMBL20608954 0.78 CSNK1E (0.47) ALDH1A1DRD2DRD3LMNALTA4H
SCHEMBL20608951 0.78 CSNK1E (0.47) ALDH1A1DRD2DRD3LMNALTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5064929-A Tough, transparent optical films MOBAY CORPORATION (US) 1991-11-12 US disclosed