SCHEMBL7511213

SCHEMBL7511213

COc1ccc2c(c1)C(O)c1ccccc1CO2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
MAPT P10636 3/20 0.51
GAA P10253 2/20 0.51
HPGD P15428 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
KDM4E B2RXH2 1/20 0.51
NPC1 O15118 1/20 0.51
ALOX12 P18054 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HTR2A P28223 2/20 0.45
MAOA P21397 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TBXA2R P21731 1/20 0.43
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
HTR2B P41595 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
HTR1A P08908 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
SCHEMBL11275290 0.85 ALDH1A1 (0.51) ALDH1A1MAPTGAAHPGDTDP1
SCHEMBL7505944 0.85 TBXA2R (0.38) ALDH1A1MAPTGAAHPGDTDP1
SCHEMBL10865091 0.85 ALDH1A1 (0.42) ALDH1A1MAPTGAAHPGDTDP1
SCHEMBL8797397 0.82 ALDH1A1 (0.49) ALDH1A1MAPTGAAHPGDTDP1
SCHEMBL10556435 0.81 CA12 (0.36) ALDH1A1MAPTGAAHPGDTDP1
SCHEMBL7813330 0.81 LTB4R (0.47)
SCHEMBL11271280 0.81 MAPT (0.47) ALDH1A1MAPTGAAHPGDTDP1
SCHEMBL8614670 0.80 TBXA2R (0.47) ALDH1A1MAPTGAAHPGDTDP1
SCHEMBL11839757 0.80 MAOA (0.61) ALDH1A1MAPTGAAHPGDTDP1
SCHEMBL7509154 0.80 KMT2A (0.42) MAPTGAAHTR2AMAOAKMT2A

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-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-4889858-A ANTIHYPOXIC AGENTS, ANTICONVULSANTS, LIPID PEROXIDATION INHIBITORS DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1989-12-26 US disclosed
EP-0269755-A1 DIBENZ b,e OXEPIN DERIVATIVE AND PHARMACEUTICAL CONTAINING THE SAME AS ACTIVE INGREDIENT Dainippon Pharmaceutical Co., Ltd. (JP) 1988-06-08 EP disclosed
US-4335122-A DIURETICS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1982-06-15 US disclosed