SCHEMBL10513151

SCHEMBL10513151

CCCCCCCc1ccc(-c2ccc(C#Cc3ccc(OC)cc3)cc2F)cc1.CCCCCCc1ccc(-c2ccc(C#Cc3ccc(OC)cc3)cc2F)cc1.CCCCCc1ccc(-c2ccc(C#Cc3ccc(OC)cc3)cc2F)cc1.CCCCc1ccc(-c2ccc(C#Cc3ccc(OC)cc3)cc2F)cc1.CCCc1ccc(-c2ccc(C#Cc3ccc(OC)cc3)cc2F)cc1.CCc1ccc(-c2ccc(C#Cc3ccc(OC)cc3)cc2F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.47
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RARA P10276 1/20 0.38
RARG P13631 1/20 0.38
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
MAPK1 P28482 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
USP2 O75604 1/20 0.37
CYP3A4 P08684 1/20 0.37
CASP1 P29466 1/20 0.37
SLCO1B3 Q9NPD5 1/20 0.37
SLCO1B1 Q9Y6L6 1/20 0.37

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
SCHEMBL9510020 0.94 RARB (0.53) RARBCASP3SENP8SENP7SENP6
SCHEMBL9508915 0.94 RARB (0.53) RARBCASP3SENP8SENP7SENP6
SCHEMBL10514010 0.93 RARB (0.48) RARBTSHRHSD17B10RARARARG
SCHEMBL9511467 0.93 RARB (0.51) RARBCASP3SENP8SENP7SENP6
SCHEMBL10519064 0.92 RARB (0.50) RARBTSHRHSD17B10RARARARG
SCHEMBL9508924 0.92 RARB (0.46) RARBCASP3SENP8SENP7SENP6
SCHEMBL10511036 0.91 RARB (0.47) RARBTSHRHSD17B10RARARARG
SCHEMBL9511326 0.89 MAOB (0.43) RARBS1PR1S1PR3FFAR1MAOB
SCHEMBL9512526 0.87 APP (0.43) FFAR1MAOBAPPCYP2C19
SCHEMBL9510917 0.87 RARB (0.56) RARBTSHRHSD17B10RARARARG

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
EP-0308438-A1 Liquid crystal phase containing tolanes. MERCK PATENT GMBH (DE) 1989-03-29 EP disclosed
WO-1988007514-A1 TOLANES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1988-10-06 WO disclosed