SCHEMBL7934862

SCHEMBL7934862

Nc1ccc(OCC(O)COc2ccc(N)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
POLB P06746 2/20 0.55
LMNA P02545 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
ADRB2 P07550 1/20 0.54
ADRB1 P08588 1/20 0.54
ADRB3 P13945 1/20 0.54
ALDH1A1 P00352 1/20 0.53
TDP1 Q9NUW8 2/20 0.52
TSHR P16473 1/20 0.52
CYP1A2 P05177 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
APP P05067 1/20 0.47
ATM Q13315 1/20 0.47
HTT P42858 1/20 0.47
KDM4E B2RXH2 2/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA7 P43166 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
SCHEMBL11566950 0.94 MAPT (0.50) MAPTPOLBLMNANPSR1ADRB2
SCHEMBL28531572 0.90 POLB (0.51) MAPTPOLBLMNANPSR1ADRB2
SCHEMBL656178 0.90 AR (0.53) MAPTPOLBLMNANPSR1ADRB2
SCHEMBL9002377 0.88 AR (0.55) MAPTPOLBLMNANPSR1ADRB2
SCHEMBL6049252 0.88 TDP1 (0.55) MAPTPOLBLMNANPSR1ADRB2
SCHEMBL5494961 0.87 TDP1 (0.55) MAPTPOLBLMNANPSR1ADRB2
SCHEMBL6141129 0.86 TDP1 (0.52) MAPTPOLBLMNANPSR1ADRB2
SCHEMBL188449 0.83 HIF1A (0.65) POLBALDH1A1TDP1SMN1; SMN2HTT
SCHEMBL16314531 0.83 CA12 (0.64) MAPTADRB2ADRB1ADRB3SMN1; SMN2
SCHEMBL8479002 0.83 TDP1 (0.48) MAPTPOLBLMNANPSR1ADRB2

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
US-6303742-B1 CHARACTERIZED BY A CINNAMOYL GROUP OR A DERIVED CINNAMOYL GROUP INCORPORATED THEREIN AND BY PHOTO-REACTIVITY AND HEAT-REACTIVITY WHICH ARE INHERENT IN THE CINNAMOYL GROUP. KANEKAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2001-10-16 US disclosed
EP-0012925-B1 QUINOLON-CARBOXYLIC ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING AKTIENGESELLSCHAFT (DE) 1982-11-10 EP disclosed
US-4289777-A Quinolonecarboxylic acid derivatives and pharmaceutical preparations thereof for treatment of an allergic disease of the respiratory tract SCHERING, AKTIENGESELLSCHAFT (DE) 1981-09-15 US disclosed
EP-0012925-A1 Quinolon-carboxylic acid derivatives, process for their preparation and pharmaceutical compositions containing them SCHERING AKTIENGESELLSCHAFT (DE) 1980-07-09 EP disclosed