SCHEMBL9702631

SCHEMBL9702631

O=C(O)c1ccc(C[CH]CCc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 4/20 0.47
HDAC1 Q13547 1/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 1/20 0.46
HPGD P15428 1/20 0.45
PPARA Q07869 1/20 0.45
POLB P06746 1/20 0.45
SRD5A2 P31213 3/20 0.45
NR4A1 P22736 1/20 0.45
NR4A2 P43354 1/20 0.45
NR4A3 Q92570 1/20 0.45
PTGER1 P34995 1/20 0.44
PTGER4 P35408 1/20 0.44
PTGER3 P43115 1/20 0.44
PTGER2 P43116 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
RARB P10826 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL28218802 0.84 HDAC1 (0.53) GPR52HDAC1HTTALDH1A1HDAC8
SCHEMBL364290 0.83 MAOB (0.52) GPR52HPGDALDH1A1
SCHEMBL1926270 0.81 HDAC1 (0.64) HDAC1PPARASRD5A2NR4A1NR4A2
SCHEMBL8894364 0.81 HDAC1 (0.64) HDAC1PPARASRD5A2NR4A1NR4A2
SCHEMBL9219296 0.80 ESR1 (0.48) ALDH1A1
SCHEMBL5020596 0.80 MAOB (0.62) LMNAHPGDPOLBSRD5A2NR4A1
SCHEMBL9506114 0.80 MAOB (0.62) LMNAHPGDPOLBSRD5A2NR4A1
Hydrochloric Acid SCHEMBL7704996 0.79 HDAC1 (0.62) HDAC1PPARASRD5A2NR4A1NR4A2
Terephthalic Acid SCHEMBL1887306 0.79 TSHR (0.62) HDAC1LMNAHTTPPARASRD5A2
SCHEMBL8759256 0.79 ALDH1A1 (0.57) POLBSRD5A2NR4A1ALDH1A1RARB

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
EP-0491176-A1 Silver halide photographic light-sensitive material improved in anti-jamming property KONICA CORPORATION (JP) 1992-06-24 EP disclosed