SCHEMBL29200019

SCHEMBL29200019

C#Cc1ccc2cc(CCCCCC)ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.47
TSHR P16473 1/20 0.47
THRA P10827 2/20 0.46
THRB P10828 2/20 0.46
ESR1 P03372 2/20 0.43
ADRA2A P08913 2/20 0.43
ADORA3 P0DMS8 2/20 0.43
TACR2 P21452 2/20 0.43
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
SHBG P04278 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
HSPD1 P10809 1/20 0.43
ADRB3 P13945 1/20 0.43
HTR2C P28335 1/20 0.43

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
SCHEMBL9710359 1.00 HSD17B10 (0.47) HSD17B10TSHRTHRATHRBESR1
SCHEMBL9710353 1.00 HSD17B10 (0.47) HSD17B10TSHRTHRATHRBESR1
SCHEMBL9710350 1.00 HSD17B10 (0.47) HSD17B10TSHRTHRATHRBESR1
SCHEMBL10325244 0.93 SKP2 (0.42) HSD17B10TSHRTHRATHRBBDKRB2
SCHEMBL27844768 0.84 PTGS2 (0.57) HSD17B10ESR1ADRA2AADORA3TACR2
SCHEMBL27995689 0.84 PTGS2 (0.57) HSD17B10ESR1ADRA2AADORA3TACR2
SCHEMBL11690859 0.84 PTGS2 (0.57) HSD17B10ESR1ADRA2AADORA3TACR2
SCHEMBL11222681 0.84 PTGS2 (0.57) HSD17B10ESR1ADRA2AADORA3TACR2
SCHEMBL9742151 0.84 HSD17B10 (0.51) HSD17B10TSHRTHRATHRBESR1
SCHEMBL9744523 0.84 HSD17B10 (0.51) HSD17B10TSHRTHRATHRBESR1

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
CN-112779023-B Liquid crystal compound for high-frequency device DIC株式会社 2024-03-01 CN disclosed
CN-112779023-A Liquid crystal compound for high-frequency device DIC株式会社 2021-05-11 CN disclosed