SCHEMBL10693495

SCHEMBL10693495

O=Cc1ccc(Oc2ccc(-c3ccc(Cl)cc3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.64
DRD1 P21728 1/20 0.52
PARP10 Q53GL7 1/20 0.50
PARP3 Q9Y6F1 1/20 0.50
LTA4H P09960 3/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP2A6 P11509 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
POLB P06746 1/20 0.44
CASP6 P55212 1/20 0.44
ALOX5 P09917 1/20 0.43
ALDH1A3 P47895 1/20 0.42
HAO1 Q9UJM8 1/20 0.42
ELANE P08246 1/20 0.42
SLC2A1 P11166 1/20 0.41
STS P08842 1/20 0.41

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
SCHEMBL2267829 0.94 HSD17B10 (0.73) HSD17B10DRD1PARP10PARP3ALDH1A1
SCHEMBL2013120 0.87 HSD17B10 (0.84) HSD17B10DRD1ALDH1A1KDM4ELMNA
SCHEMBL9121691 0.82 MAOA (0.64) LTA4HALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL1663469 0.82 PARP10 (0.65) HSD17B10DRD1PARP10PARP3ALDH1A1
SCHEMBL5050902 0.82 PARP10 (0.65) HSD17B10DRD1PARP10PARP3ALDH1A1
SCHEMBL21023525 0.82 ALDH1A1 (0.53) DRD1PARP10PARP3LTA4HALDH1A1
SCHEMBL1747257 0.82 ALDH1A1 (0.55) DRD1PARP10PARP3LTA4HALDH1A1
SCHEMBL1508509 0.80 HSD17B10 (0.52) HSD17B10DRD1PARP10PARP3ALDH1A1
SCHEMBL8547518 0.80 HSD17B10 (0.52) HSD17B10DRD1PARP10PARP3ALDH1A1
SCHEMBL13703246 0.80 CYP2A6 (0.64) DRD1PARP10PARP3ALDH1A1KDM4E

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
US-4748185-A RODENTICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1988-05-31 US disclosed