SCHEMBL9855352

SCHEMBL9855352

CCCCCCCc1ccc(C#Cc2ccc(CCCCC)cc2)nn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.47
TSHR P16473 1/20 0.47
KDM4E B2RXH2 3/20 0.42
ESR1 P03372 2/20 0.42
ADRA2A P08913 2/20 0.42
ADORA3 P0DMS8 2/20 0.42
TACR2 P21452 2/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
SHBG P04278 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
HSPD1 P10809 1/20 0.42
ADRB3 P13945 1/20 0.42
HTR2C P28335 1/20 0.42
HSPE1 P61604 1/20 0.42
HIF1A Q16665 1/20 0.42

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
SCHEMBL9855616 1.00 HSD17B10 (0.47) HSD17B10TSHRKDM4EESR1ADRA2A
SCHEMBL9854917 1.00 HSD17B10 (0.47) HSD17B10TSHRKDM4EESR1ADRA2A
SCHEMBL9855944 1.00 HSD17B10 (0.47) HSD17B10TSHRKDM4EESR1ADRA2A
SCHEMBL9855458 1.00 HSD17B10 (0.47) HSD17B10TSHRKDM4EESR1ADRA2A
SCHEMBL9855859 1.00 HSD17B10 (0.47) HSD17B10TSHRKDM4EESR1ADRA2A
SCHEMBL9855150 1.00 HSD17B10 (0.47) HSD17B10TSHRKDM4EESR1ADRA2A
SCHEMBL9855080 0.99 HSD17B10 (0.46) HSD17B10TSHRKDM4EESR1ADRA2A
SCHEMBL9855595 0.99 HSD17B10 (0.46) HSD17B10TSHRKDM4EESR1ADRA2A
SCHEMBL9855314 0.99 HSD17B10 (0.46) HSD17B10TSHRKDM4EESR1ADRA2A
SCHEMBL9855668 0.99 HSD17B10 (0.46) HSD17B10TSHRKDM4EESR1ADRA2A

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
US-5068053-A Liquid crystals for optical apparatus MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-11-26 US disclosed