SCHEMBL11240434

SCHEMBL11240434

CCn1cc(C(=O)O)c(=O)c2ccc(OCC(O)COc3ccc4c(=O)c(C(=O)O)cn(CC)c4c3)cc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.59
HPGD P15428 4/20 0.59
HSD17B10 Q99714 4/20 0.59
ALDH1A1 P00352 3/20 0.59
TSHR P16473 3/20 0.59
RAB9A P51151 1/20 0.59
TDP1 Q9NUW8 3/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
APEX1 P27695 1/20 0.50
LMNA P02545 4/20 0.47
HTT P42858 2/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ABCC4 O15439 1/20 0.46
PKM P14618 1/20 0.46
PTGS1 P23219 1/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
CHRM1 P11229 1/20 0.45

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
SCHEMBL11236984 0.91 KDM4E (0.72) KDM4EHPGDHSD17B10ALDH1A1TSHR
SCHEMBL11405680 0.90 KDM4E (0.49) KDM4EHPGDHSD17B10ALDH1A1TSHR
SCHEMBL11230075 0.89 CNR2 (0.56) KDM4EHPGDHSD17B10ALDH1A1TSHR
SCHEMBL11237089 0.87 KDM4E (0.55) KDM4EHPGDHSD17B10ALDH1A1TSHR
SCHEMBL11234391 0.86 ALDH1A1 (0.44) KDM4EHPGDHSD17B10ALDH1A1TSHR
SCHEMBL5680266 0.84 KDM4E (0.59) KDM4EHPGDHSD17B10ALDH1A1TSHR
SCHEMBL4179844 0.83 KDM4E (0.58) KDM4EHPGDHSD17B10ALDH1A1TSHR
SCHEMBL4179852 0.83 KDM4E (0.58) KDM4EHPGDHSD17B10ALDH1A1TSHR
SCHEMBL4903449 0.80 KDM4E (0.55) KDM4EHPGDHSD17B10ALDH1A1TSHR
SCHEMBL4906790 0.80 KDM4E (0.55) KDM4EHPGDHSD17B10ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0012925-B1 QUINOLON-CARBOXYLIC ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING AKTIENGESELLSCHAFT (DE) 1982-11-10 EP claimed
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 claimed
EP-0012925-A1 Quinolon-carboxylic acid derivatives, process for their preparation and pharmaceutical compositions containing them SCHERING AKTIENGESELLSCHAFT (DE) 1980-07-09 EP claimed
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