SCHEMBL11569742

SCHEMBL11569742

CCCCCNc1cc(OC)c(C(=O)O)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CISD1 Q9NZ45 7/20 0.53
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
TDP1 Q9NUW8 2/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.43
MAPT P10636 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM6B O15054 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
HTR4 Q13639 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL8902085 0.91 CISD1 (0.50) CISD1TDP1ALDH1A1POLBHTT
SCHEMBL12316423 0.87 TDP1 (0.45) TDP1ALDH1A1LMNAPOLBHTT
SCHEMBL405745 0.85 TDP1 (0.45) CISD1TDP1ALDH1A1POLBHTT
SCHEMBL27644086 0.82 TDP1 (0.59) PPARGPPARATDP1ALDH1A1LMNA
SCHEMBL6439858 0.80 HTR4 (0.60) ALDH1A1MEN1KMT2AHTR4
SCHEMBL5754001 0.80 TDP1 (0.47) TDP1ALDH1A1LMNAPOLBHTT
SCHEMBL7529723 0.80 HTT (0.59) CISD1PPARGALDH1A1LMNATSHR
SCHEMBL12316387 0.79 HTT (0.55) PPARGTDP1ALDH1A1LMNATSHR
SCHEMBL8902203 0.78 TDP1 (0.47) TDP1ALDH1A1LMNANPSR1POLB
SCHEMBL12316393 0.77 METAP2 (0.44) CISD1TDP1ALDH1A1LMNAPOLB

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-4138492-A FOR TREATMENT OF GASTROINTESTINAL DISORDERS ANPHAR, S.A. (ES) 1979-02-06 US disclosed