SCHEMBL13402139

SCHEMBL13402139

CCCCC1CCC(OCCCCCCOc2ccc(-c3ccc(CCCOc4ccc(C)cc4)cc3)cc2F)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.41
RARB P10826 3/20 0.39
RARA P10276 2/20 0.39
NAAA Q02083 1/20 0.35
RARG P13631 1/20 0.35
CYSLTR2 Q9NS75 1/20 0.35
MEN1 O00255 2/20 0.34
MAPK1 P28482 2/20 0.34
KMT2A Q03164 2/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
CASP1 P29466 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SLCO1B3 Q9NPD5 1/20 0.34
SLCO1B1 Q9Y6L6 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
RAD52 P43351 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
SCHEMBL13402155 0.87 RARB (0.41) S1PR1RARBRARARARGCYSLTR2
SCHEMBL10311603 0.84 RARB (0.40) S1PR1RARBRARARARGCYSLTR2
SCHEMBL13402113 0.80 CYP2D6 (0.40) RARBMEN1KMT2ACYP3A4
SCHEMBL7750069 0.78 RARB (0.47) S1PR1RARBRARARARGHRH3
SCHEMBL7752728 0.78 RARB (0.47) S1PR1RARBRARARARGHRH3
SCHEMBL13402129 0.77 PPARG (0.40) S1PR1MEN1MAPK1KMT2AUSP2
SCHEMBL9291221 0.76 S1PR1 (0.49) S1PR1RARBRARANAAARARG
SCHEMBL9291318 0.75 S1PR1 (0.46) S1PR1RARBRARARARGHRH3
SCHEMBL9291359 0.75 S1PR1 (0.46) S1PR1RARBRARARARGHRH3
SCHEMBL9291493 0.75 S1PR1 (0.46) S1PR1RARBRARARARGHRH3

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-7705105-B2 A cyclic polymer of silsesquioxane skeleton with side chains formed byhydrosilation of an unsaturated end group containing an active polymerfunctional group; polyimidesiloxane copolymers; polyestersiloxane copolymers; high molecular weight; thin films; strength; heat resistance;waterproofing; CHISSO PETROCHEMICAL CORPORATION (JP) 2010-04-27 US disclosed
US-20070190344-A1 Verification of translation JNC CORPORATION (JP) 2007-08-16 US disclosed