SCHEMBL20930615

SCHEMBL20930615

CC(C)c1ccc(N(c2ccc(C(C)C)cc2)c2cc(C(C)C)c3ccc4c(Br)cc(C(C)C)c5ccc2c3c45)cc1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.32

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
SCHEMBL10066489 0.91 AR (0.31)
SCHEMBL12722077 0.86
SCHEMBL13227440 0.86 ALDH1A1 (0.34)
SCHEMBL21870395 0.86 ALDH1A1 (0.34)
SCHEMBL10354393 0.86 CNR1 (0.34)
SCHEMBL10038741 0.84 PER2 (0.33)
SCHEMBL10354399 0.83
SCHEMBL10354048 0.83
SCHEMBL14463259 0.82 AR (0.32)
SCHEMBL10354046 0.82 TNKS (0.35)

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
WO-2019076198-A1 COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE 北京鼎材科技有限公司 2019-04-25 WO disclosed