SCHEMBL7518917

SCHEMBL7518917

CCc1ccc2c(c1)C(O)c1ccccc1CO2

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.41
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HRH1 P35367 2/20 0.39
HCRTR2 O43614 1/20 0.38
TBXAS1 P24557 2/20 0.38
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TBXA2R P21731 1/20 0.37

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
SCHEMBL11116343 0.85 PARP1 (0.41) PARP1HTR2AHTR2CHRH1HCRTR2
SCHEMBL9749953 0.84 TBXAS1 (0.37) TBXAS1
SCHEMBL8798529 0.82 TBXAS1 (0.41) PARP1HCRTR2TBXAS1POLBMAPT
SCHEMBL10565563 0.82 AKR1B1 (0.57) HRH1TBXAS1TBXA2R
SCHEMBL7513748 0.80 MAPT (0.43) TBXAS1MAPTTBXA2R
SCHEMBL11731964 0.80 MAOA (0.61) MAPT
SCHEMBL7509154 0.80 KMT2A (0.42) HTR2AHTR2CHRH1MAPTTBXA2R
SCHEMBL10923308 0.79 PTPN1 (0.40) TBXAS1POLBMAPTTDP1TBXA2R
SCHEMBL11151324 0.78 DRD2 (0.38) PARP1
SCHEMBL9044716 0.78 RAB9A (0.44) TBXAS1MAPTTDP1TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0974583-B1 PHENYLPIPERIDINE DERIVATIVES KYOWA HAKKO KOGYO KK (JP) 2002-05-29 EP disclosed
US-6150355-A ANALGESICS KYOWA HAKKO KOGYO CO., LTD. (JP) 2000-11-21 US disclosed
EP-0974583-A1 PHENYLPIPERIDINE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 2000-01-26 EP disclosed
US-4396550-A ANTICHOLINERGIC, ANTIHISTIMINIC AGENTS KYOWA HAKKO KOGYO CO., LTD. (JP) 1983-08-02 US disclosed
EP-0038564-A1 Dibenz (b,e) oxepin derivatives and pharmaceutical compositions comprising them KYOWA HAKKO KOGYO CO., LTD (JP) 1981-10-28 EP disclosed