SCHEMBL11501702

SCHEMBL11501702

CCCCCCNC(=O)N(CCCN(C)CCCN(C(=N)N)C(=O)NCCCCCC)C(=N)N

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 3/20 0.43
EPHX1 P07099 7/20 0.42
EPHX2 P34913 2/20 0.40
DNM1 Q05193 2/20 0.40
RRM1 P23921 1/20 0.39
CASP2 P42575 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
GNAI3 P08754 1/20 0.38
GNAO1 P09471 1/20 0.38
GNAI1 P63096 1/20 0.38
KDM5A P29375 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
PHF8 Q9UPP1 1/20 0.38

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
SCHEMBL8032200 0.91 EPHX1 (0.47) SPHK1EPHX1EPHX2RRM1CASP2
SCHEMBL3070903 0.85 EPHX1 (0.40) SPHK1EPHX1DNM1DPP7
SCHEMBL11468016 0.81 USP2 (0.44) SPHK1EPHX1RRM1GNAI3GNAO1
SCHEMBL11501585 0.80 MLYCD (0.34) EPHX1RRM1DPP7GNAI3GNAO1
SCHEMBL11460240 0.78 USP2 (0.41) SPHK1EPHX1GNAI3GNAO1GNAI1
SCHEMBL13868080 0.78 EPHX1 (0.57) EPHX1EPHX2DNM1CASP2
SCHEMBL20623094 0.78 EPHX1 (0.57) EPHX1EPHX2DNM1CASP2
SCHEMBL13097658 0.78 EPHX1 (0.57) EPHX1EPHX2DNM1CASP2
SCHEMBL18047858 0.74 EPHX1 (0.48) EPHX1EPHX2DNM1CASP2
SCHEMBL11502077 0.74 ALDH1A1 (0.33) SPHK1

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
US-4166827-A DENTAL PLAQUE COOPER LABORATORIES, INC. (US) 1979-09-04 US claimed
US-4166827-A DENTAL PLAQUE COOPER LABORATORIES, INC. (US) 1979-09-04 US disclosed