SCHEMBL7054446

SCHEMBL7054446

CCCCC[N]C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.46
CYP1A2 P05177 1/20 0.43
NAAA Q02083 4/20 0.35
EPHX1 P07099 9/20 0.34
EPHX2 P34913 2/20 0.33

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
SCHEMBL10501805 0.98 SIGMAR1 (0.49) SIGMAR1CYP1A2NAAAEPHX1EPHX2
SCHEMBL9737302 0.98 SIGMAR1 (0.49) SIGMAR1CYP1A2NAAAEPHX1EPHX2
SCHEMBL9214648 0.98 SIGMAR1 (0.49) SIGMAR1CYP1A2NAAAEPHX1EPHX2
SCHEMBL10444336 0.98 SIGMAR1 (0.49) SIGMAR1CYP1A2NAAAEPHX1EPHX2
SCHEMBL6380675 0.98 SIGMAR1 (0.43) SIGMAR1CYP1A2NAAAEPHX1EPHX2
SCHEMBL3326401 0.95 SIGMAR1 (0.46) SIGMAR1CYP1A2NAAAEPHX1EPHX2
SCHEMBL303718 0.93 CYP1A2 (0.44) SIGMAR1CYP1A2NAAAEPHX1EPHX2
SCHEMBL921655 0.93 SIGMAR1 (0.39) SIGMAR1CYP1A2NAAAEPHX1
SCHEMBL10444597 0.91 SIGMAR1 (0.42) SIGMAR1CYP1A2NAAAEPHX1
SCHEMBL7055348 0.91 SIGMAR1 (0.42) SIGMAR1CYP1A2NAAAEPHX1

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
EP-0994108-B1 PROCESS FOR PRODUCING 2-HYDROXYBENZAMIDE DERIVATIVES ZERIA PHARM CO LTD (JP) 2003-05-14 EP disclosed
US-6197970-B1 REACTING WITH SECONDARY OR TERTIARY AMINE; DEBLOCKING, DEPROTECTING ZERIA PHARMACEUTICAL CO., LTD. (JP) 2001-03-06 US disclosed
EP-0994108-A1 PROCESS FOR PRODUCING 2-HYDROXYBENZAMIDE DERIVATIVES ZERIA PHARMACEUTICAL CO., LTD. (JP) 2000-04-19 EP disclosed
US-4182887-A ANTIPHLOGISTIC, ANTITHROMBOTIC BOEHRINGER INGELHEIM GMBH (DE) 1980-01-08 US disclosed