SCHEMBL11405282

SCHEMBL11405282

COc1ccccc1Oc1ccc(Cl)cc1C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.69
TTR P02766 1/20 0.56
CCR2 P41597 4/20 0.55
GRIK1 P39086 1/20 0.54
KDM4E B2RXH2 3/20 0.53
GAA P10253 2/20 0.53
ALDH1A1 P00352 4/20 0.51
HPGD P15428 4/20 0.51
TSHR P16473 1/20 0.51
MRGPRX4 Q96LA9 1/20 0.51
POLB P06746 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
IDO1 P14902 2/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48

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
SCHEMBL11398514 0.88 HTT (0.69) HTTTTRCCR2GRIK1KDM4E
SCHEMBL48961 0.85 MRGPRX4 (0.64) TTRKDM4EGAAALDH1A1HPGD
SCHEMBL30100412 0.85 MRGPRX4 (0.64) TTRKDM4EGAAALDH1A1HPGD
SCHEMBL11483642 0.85 CCR2 (0.55) HTTCCR2GAAALDH1A1HPGD
SCHEMBL11484178 0.84 ALDH1A1 (0.58) TTRCCR2GAAALDH1A1HPGD
Hydrochloric Acid SCHEMBL7210817 0.84 MRGPRX4 (0.62) TTRKDM4EGAAALDH1A1HPGD
SCHEMBL11091873 0.83 CA1 (0.54) TTRCCR2GRIK1GAAALDH1A1
SCHEMBL3384527 0.82 HTT (1.00) HTTKDM4EALDH1A1HPGDTSHR
SCHEMBL22891351 0.81 CYP1A2 (0.57) HTTTTRCCR2KDM4EGAA
SCHEMBL3630423 0.80 MRGPRX4 (0.58) TTRGRIK1GAAALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4242121-A USING A PHENOXYBENZOIC ACID, ITS ESTER OR SALT IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-12-30 US claimed
US-4268514-A ANALGESICS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-05-19 US disclosed