SCHEMBL11780948

SCHEMBL11780948

CCCCCCCCCCCCCCCCCCNC(=O)NCCN

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 11/20 0.79
RRM1 P23921 1/20 0.56
CASP2 P42575 1/20 0.53
DPP7 Q9UHL4 1/20 0.53
EPHX2 P34913 5/20 0.53
GNAI3 P08754 1/20 0.53
GNAO1 P09471 1/20 0.53
GNAI1 P63096 1/20 0.53

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
SCHEMBL326286 0.98 EPHX1 (0.75) EPHX1RRM1CASP2DPP7EPHX2
SCHEMBL11778026 0.92 EPHX1 (0.79) EPHX1RRM1GNAI3GNAO1GNAI1
SCHEMBL11779920 0.92 EPHX1 (0.79) EPHX1RRM1CASP2DPP7EPHX2
SCHEMBL17740104 0.92 EPHX1 (0.79) EPHX1RRM1GNAI3GNAO1GNAI1
SCHEMBL21538794 0.92 EPHX1 (0.79) EPHX1RRM1GNAI3GNAO1GNAI1
SCHEMBL11780971 0.92 EPHX1 (0.79) EPHX1RRM1GNAI3GNAO1GNAI1
SCHEMBL11780869 0.92 EPHX1 (0.79) EPHX1RRM1GNAI3GNAO1GNAI1
SCHEMBL11779199 0.92 EPHX1 (0.79) EPHX1RRM1GNAI3GNAO1GNAI1
SCHEMBL11778781 0.92 EPHX1 (0.79) EPHX1RRM1CASP2DPP7EPHX2
SCHEMBL10558436 0.91 EPHX1 (0.68) EPHX1RRM1DPP7EPHX2

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-3965015-A DETERGENT, AN UREA OR THIOUREA COLGATE-PALMOLIVE COMPANY (US) 1976-06-22 US disclosed