SCHEMBL9508942

SCHEMBL9508942

CCCCCc1ccc(CCc2ccc(C#Cc3ccc(C)cc3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.53
FFAR1 O14842 2/20 0.53
TSHR P16473 1/20 0.53
ESR1 P03372 2/20 0.48
ADRA2A P08913 2/20 0.48
ADORA3 P0DMS8 2/20 0.48
TACR2 P21452 2/20 0.48
SLC6A2 P23975 2/20 0.48
SLC6A4 P31645 2/20 0.48
SLC6A3 Q01959 2/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
SHBG P04278 1/20 0.48
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48
HSPD1 P10809 1/20 0.48
ADRB3 P13945 1/20 0.48
HTR2C P28335 1/20 0.48
HSPE1 P61604 1/20 0.48

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
SCHEMBL9330346 0.98 HSD17B10 (0.54) HSD17B10FFAR1TSHRESR1ADRA2A
SCHEMBL9346191 0.98 HSD17B10 (0.54) HSD17B10FFAR1TSHRESR1ADRA2A
SCHEMBL7511631 0.96 HSD17B10 (0.57) HSD17B10FFAR1TSHRESR1ADRA2A
SCHEMBL9328421 0.96 HSD17B10 (0.57) HSD17B10FFAR1TSHRESR1ADRA2A
SCHEMBL9327177 0.96 HSD17B10 (0.57) HSD17B10FFAR1TSHRESR1ADRA2A
SCHEMBL9328451 0.96 HSD17B10 (0.57) HSD17B10FFAR1TSHRESR1ADRA2A
SCHEMBL9328194 0.96 HSD17B10 (0.57) HSD17B10FFAR1TSHRESR1ADRA2A
SCHEMBL9327028 0.96 HSD17B10 (0.57) HSD17B10FFAR1TSHRESR1ADRA2A
SCHEMBL9509324 0.94 FFAR1 (0.54) HSD17B10FFAR1TSHRESR1ADRA2A
SCHEMBL9346602 0.92 FFAR1 (0.56) HSD17B10FFAR1TSHRESR1ADRA2A

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