SCHEMBL11633652

SCHEMBL11633652

CCN(c1cc[c]cc1)C(C)C#N

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.30

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
SCHEMBL6675337 0.83 MAPT (0.41) S1PR1
SCHEMBL4741231 0.82 S1PR1 (0.34) S1PR1
SCHEMBL5842275 0.80 IGLV6-57 (0.37)
SCHEMBL10939019 0.77 ALDH1A1 (0.50)
Hydrochloric Acid SCHEMBL11450008 0.75 ALDH1A1 (0.42)
SCHEMBL27652709 0.73 ALDH1A1 (0.32)
SCHEMBL8394632 0.73 TP53 (0.45) S1PR1
SCHEMBL11702180 0.69 KCNN4 (0.38)
SCHEMBL8041614 0.68
SCHEMBL11696293 0.67 ALDH1A3 (0.46)

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-4101540-A USEFUL FOR DYEING ACRYLONITRILE POLYMERS OR ACID-MODIFIED POLYESTERS OR POLYAMIDES PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1978-07-18 US claimed