SCHEMBL11749078

SCHEMBL11749078

O=C(NCc1ccco1)C(Cl)Cl

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 4/20 0.58
▸ ALDH1A1 P00352 4/20 0.58
▸ HPGD P15428 2/20 0.57
▸ TP53 P04637 1/20 0.57
▸ TSHR P16473 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ HTT P42858 1/20 0.57
▸ TDP1 Q9NUW8 2/20 0.57
▸ POLB P06746 3/20 0.55
▸ HSD17B10 Q99714 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ PTPN7 P35236 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ KMT2A Q03164 1/20 0.55

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
SCHEMBL1106990 0.82 ALDH1A1 (0.60) EPHX2ALDH1A1HPGDTP53TDP1
SCHEMBL24575916 0.81 EPHX2 (0.83) EPHX2ALDH1A1HPGDTP53TSHR
SCHEMBL14694017 0.81 ALDH1A1 (0.66) EPHX2ALDH1A1HPGDTSHRHTT
SCHEMBL18415483 0.81 POLB (0.77) EPHX2ALDH1A1HPGDHTTTDP1
SCHEMBL29410065 0.79 ALDH1A1 (0.74) EPHX2ALDH1A1HPGDTSHRTDP1
SCHEMBL1694937 0.79 ALDH1A1 (0.64) EPHX2ALDH1A1HPGDTDP1POLB
SCHEMBL1455280 0.79 ALDH1A1 (0.64) EPHX2ALDH1A1HPGDTSHRHTT
SCHEMBL28733080 0.79 ALDH1A1 (0.55) EPHX2ALDH1A1HPGDHTTTDP1
SCHEMBL6029533 0.79 ALDH1A1 (0.68) EPHX2ALDH1A1HPGDTSHRTDP1
Hydrochloric Acid SCHEMBL7625892 0.78 ALDH1A1 (0.56) EPHX2ALDH1A1HPGDTP53TDP1

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-4033756-A PROTECTIVE COATINGS GULF RESEARCH & DEVELOPMENT COMPANY (US) 1977-07-05 — — US disclosed
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