SCHEMBL8433641

SCHEMBL8433641

NC(Nc1ccccc1)C(O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.46
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
ALDH1A1 P00352 6/20 0.40
HSD17B10 Q99714 5/20 0.40
TSHR P16473 4/20 0.40
LMNA P02545 3/20 0.40
CYP3A4 P08684 3/20 0.40
IDO1 P14902 2/20 0.40
ALOX15 P16050 2/20 0.40
ALOX12 P18054 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
PTGS2 P35354 2/20 0.40
THRB P10828 1/20 0.40
RECQL P46063 1/20 0.40
ATM Q13315 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL6702355 0.76 TDP1 (0.58) TDP1CA12CA9ALDH1A1HSD17B10
SCHEMBL16603000 0.74 DPP4 (0.56) TDP1CA12CA9ALDH1A1HSD17B10
SCHEMBL15020646 0.74 TDP1 (0.41) TDP1CA12CA9ALDH1A1HSD17B10
SCHEMBL24727513 0.74 TDP1 (0.55) TDP1CA12CA9ALDH1A1HSD17B10
SCHEMBL21162820 0.74 TDP1 (0.55) TDP1CA12CA9ALDH1A1HSD17B10
SCHEMBL487257 0.74 TDP1 (0.55) TDP1CA12CA9ALDH1A1HSD17B10
SCHEMBL14527693 0.74 TDP1 (0.55) TDP1CA12CA9ALDH1A1HSD17B10
SCHEMBL27887724 0.73 EPHX1 (0.44) LMNACYP2D6KDM4EPTGS1SLC6A2
SCHEMBL17104285 0.71 TDP1 (0.58) TDP1CA12CA9ALDH1A1HSD17B10
SCHEMBL42138 0.70 TDP1 (0.64) TDP1CA12CA9ALDH1A1HSD17B10

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
JP-11071247-A None JP disclosed
JP-H1171247-A HAIR-DYEING AGENT COMPOSITION KAO CORP 1999-03-16 JP disclosed