SCHEMBL9510193

SCHEMBL9510193

CCCCc1ccc(-c2ccc(C#Cc3ccc(OCCC)c(F)c3F)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ACACB O00763 11/20 0.39
RARB P10826 2/20 0.36
S1PR1 P21453 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RARA P10276 1/20 0.33
RARG P13631 1/20 0.33

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
SCHEMBL9512435 0.97 ACACB (0.41) TSHRHSD17B10ACACB
SCHEMBL9512226 0.96 HSD17B10 (0.46) TSHRHSD17B10ACACBRARBMAPT
SCHEMBL9509121 0.95 HSD17B10 (0.48) TSHRHSD17B10ACACBRARBMAPT
SCHEMBL9510211 0.95 HSD17B10 (0.48) TSHRHSD17B10ACACBRARBMAPT
SCHEMBL9511483 0.95 TSHR (0.44) TSHRHSD17B10ACACBRARBMAPT
SCHEMBL7851550 0.94 HSD17B10 (0.42) TSHRHSD17B10ACACBMAPTRAB9A
SCHEMBL9512209 0.94 HSD17B10 (0.42) TSHRHSD17B10ACACBMAPTRAB9A
SCHEMBL9508718 0.94 ACACB (0.39) TSHRHSD17B10ACACBMAPTRAB9A
SCHEMBL10513469 0.93 HSD17B10 (0.48) TSHRHSD17B10RARBMAPTRAB9A
SCHEMBL9512448 0.93 HSD17B10 (0.44) TSHRHSD17B10ACACBRARBS1PR1

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