SCHEMBL9508915

SCHEMBL9508915

CCCCCCc1ccc(-c2ccc(C#Cc3ccc(OC)cc3)cc2F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.53
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
RARA P10276 1/20 0.42
RARG P13631 1/20 0.42
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLCO1B3 Q9NPD5 1/20 0.41
SLCO1B1 Q9Y6L6 1/20 0.41

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 1.00 RARB (0.53) RARBCASP3SENP8SENP7SENP6
SCHEMBL9511467 0.99 RARB (0.51) RARBCASP3SENP8SENP7SENP6
SCHEMBL9508924 0.95 RARB (0.46) RARBCASP3SENP8SENP7SENP6
SCHEMBL10513151 0.94 RARB (0.47) RARBCASP3SENP8SENP7SENP6
SCHEMBL9511349 0.92 RARB (0.54) RARBTSHRHSD17B10RARARARG
SCHEMBL9509246 0.92 RARB (0.54) RARBTSHRHSD17B10RARARARG
SCHEMBL9511302 0.91 RARB (0.56) RARBTSHRHSD17B10RARARARG
SCHEMBL9511505 0.91 RARB (0.53) RARBCASP3SENP8SENP7SENP6
SCHEMBL9510170 0.91 RARB (0.53) RARBCASP3SENP8SENP7SENP6
SCHEMBL9510183 0.91 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0308438-B1 LIQUID CRYSTAL PHASE CONTAINING TOLANES MERCK PATENT GmbH (DE) 1993-09-29 EP disclosed