SCHEMBL10490602

SCHEMBL10490602

CCCCCc1c(Cl)c(Cl)c(C=O)c(Cl)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TYMP P19971 4/20 0.41
HIF1A Q16665 1/20 0.36
EPAS1 Q99814 1/20 0.36
TSHR P16473 2/20 0.32
CYP19A1 P11511 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
HSD17B10 Q99714 2/20 0.31
GAA P10253 1/20 0.31
CA2 P00918 1/20 0.31
EPHX1 P07099 1/20 0.30
ADH1B P00325 1/20 0.30
ADH1C P00326 1/20 0.30
ADH1A P07327 1/20 0.30
ADH4 P08319 1/20 0.30
ADH7 P40394 1/20 0.30
GPR84 Q9NQS5 1/20 0.30

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
SCHEMBL10716857 0.77 HIF1A (0.43) TYMPHIF1AEPAS1TSHRCYP19A1
SCHEMBL18952408 0.76 TYMP (0.38) TYMPHIF1AEPAS1
SCHEMBL16776537 0.74 DHODH (0.42)
SCHEMBL10376154 0.73 HIF1A (0.41) TYMPHIF1AEPAS1TSHRALDH1A1
SCHEMBL11814122 0.73 TYMP (0.43) TYMPTSHRKDM4EHPGDCA2
SCHEMBL10490597 0.72 TYMP (0.41) TYMP
SCHEMBL28986195 0.71 IGF1R (0.47) HIF1AEPAS1CYP19A1KDM4EALDH1A1
SCHEMBL1808770 0.69 MEN1 (0.45) ALDH1A1HSD17B10
SCHEMBL9724292 0.68 TYMP (0.48) TYMPKDM4EALDH1A1HPGDHSD17B10
SCHEMBL8846349 0.67 TYMP (0.44) TYMPKDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4868241-A POLYVINYL ALCOHOL MODIFIED WITH BENZOIC ACID DERIVATIVE AMERICAN CYANAMID COMPANY (US) 1989-09-19 US claimed
EP-0231922-A2 Electron beam and X-ray resists AMERICAN CYANAMID COMPANY (US) 1987-08-12 EP claimed
US-4868241-A POLYVINYL ALCOHOL MODIFIED WITH BENZOIC ACID DERIVATIVE AMERICAN CYANAMID COMPANY (US) 1989-09-19 US disclosed
EP-0231922-A2 Electron beam and X-ray resists AMERICAN CYANAMID COMPANY (US) 1987-08-12 EP disclosed