SCHEMBL11334458

SCHEMBL11334458

CCCCCCCCCCCCC1CCCCC1(N)CCCCCCCCCCCC

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP1A2 P05177 1/20 0.33
ALDH1A1 P00352 1/20 0.32
PTPN1 P18031 1/20 0.31
ACP1 P24666 1/20 0.31
CDC25B P30305 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
GNAI3 P08754 1/20 0.31
GNAO1 P09471 1/20 0.31
GNAI1 P63096 1/20 0.31

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
SCHEMBL6061618 1.00 EPHX1 (0.34) EPHX1TDP1CYP1A2ALDH1A1PTPN1
SCHEMBL769783 0.90 CYP1A2 (0.39) TDP1CYP1A2
SCHEMBL517192 0.84 TDP1 (0.43) TDP1CYP1A2
SCHEMBL31314377 0.81 CYP1A2 (0.41) EPHX1TDP1CYP1A2ALDH1A1CHRNB2
SCHEMBL28169087 0.80 CYP1A2 (0.39) EPHX1TDP1CYP1A2ALDH1A1CHRNB2
SCHEMBL29449300 0.79 EPHX1 (0.36) EPHX1TDP1CYP1A2ALDH1A1CHRNB2
SCHEMBL29449324 0.79 EPHX1 (0.36) EPHX1TDP1CYP1A2ALDH1A1CHRNB2
SCHEMBL9145363 0.79 SIGMAR1 (0.33) CYP1A2GNAI3GNAO1GNAI1
SCHEMBL29449303 0.79 EPHX1 (0.36) EPHX1TDP1CYP1A2ALDH1A1CHRNB2
SCHEMBL27726437 0.79 SIGMAR1 (0.33) CYP1A2GNAI3GNAO1GNAI1

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-4292196-A Catalyst recovery UOP INC. (US) 1981-09-29 US disclosed