SCHEMBL20100974

SCHEMBL20100974

CCCCN(C)CCN(CCN(C)CCC)CCN(CCC)CCN(C)CCN(CCN(C)CCC)CCN(CCC)CCN(C)CCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.38
S1PR2 O95136 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
S1PR5 Q9H228 1/20 0.36
KDM4C Q9H3R0 7/20 0.36
KDM5A P29375 5/20 0.36
CA12 O43570 2/20 0.35
CA9 Q16790 2/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
DNM1 Q05193 2/20 0.35
KDM4A O75164 2/20 0.34
PHF8 Q9UPP1 1/20 0.34

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
SCHEMBL14817123 0.95 S1PR2 (0.36) SIGMAR1S1PR2S1PR1S1PR3S1PR5
SCHEMBL8012187 0.89 CA12 (0.42) SIGMAR1KDM4CKDM5ACA12CA9
SCHEMBL20865634 0.89 SIGMAR1 (0.43) SIGMAR1S1PR2S1PR1S1PR3S1PR5
SCHEMBL20100973 0.89 CA12 (0.42) SIGMAR1KDM4CKDM5ACA12CA9
SCHEMBL153410 0.87
SCHEMBL28485204 0.87 CA12 (0.44) SIGMAR1CA12CA9CA2CA3
Hydrochloric Acid SCHEMBL22771660 0.84 DNM1 (0.46) SIGMAR1S1PR2S1PR1S1PR3S1PR5
SCHEMBL2039757 0.84 S1PR2 (0.41) S1PR2S1PR1S1PR3S1PR5KDM4C
SCHEMBL29581377 0.84 CA12 (0.47) S1PR2S1PR1S1PR3S1PR5KDM4C
SCHEMBL29580877 0.84 CA12 (0.47) S1PR2S1PR1S1PR3S1PR5KDM4C

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-20180118948-A1 LEUCO POLYMERS AS BLUING AGENTS IN LAUNDRY CARE COMPOSITIONS MILLIKEN & COMPANY 2018-05-03 US disclosed