SCHEMBL31380293

SCHEMBL31380293

CCCC(C)c1ccccc1C(C)CCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.42
FFAR1 O14842 1/20 0.38
GPR84 Q9NQS5 1/20 0.38
GABRA1 P14867 3/20 0.37
GABRB2 P47870 2/20 0.37
POLB P06746 1/20 0.36
TAAR1 Q96RJ0 2/20 0.36
RIPK1 Q13546 1/20 0.35
AOC3 Q16853 1/20 0.35
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CYSLTR2 Q9NS75 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
FAAH O00519 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 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
Hydrogen Peroxide SCHEMBL9456646 0.89 TSHR (0.45) TSHRSMN1; SMN2FFAR1GPR84GABRA1
SCHEMBL14864537 0.88 TSHR (0.43) TSHRSMN1; SMN2FFAR1GPR84GABRA1
SCHEMBL2697157 0.86 TSHR (0.42) TSHRSMN1; SMN2FFAR1GPR84GABRA1
SCHEMBL11800593 0.86 ESR1 (0.45) TSHRSMN1; SMN2FFAR1GPR84CYP3A4
SCHEMBL6685019 0.85 TSHR (0.45) TSHRSMN1; SMN2GABRA1GABRB2POLB
SCHEMBL23730871 0.84 HTT (0.41) TSHRSMN1; SMN2FFAR1GPR84GABRA1
SCHEMBL9722014 0.84 TSHR (0.41) TSHRSMN1; SMN2GABRA1GABRB2POLB
SCHEMBL780254 0.84 TSHR (0.41) TSHRSMN1; SMN2CYP3A4SLC6A2
SCHEMBL22263204 0.84 TSHR (0.41) TSHRSMN1; SMN2FFAR1GPR84GABRA1
SCHEMBL9232403 0.84 ADRB2 (0.44) TSHRSMN1; SMN2AOC3LMNACYP1A2

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
WO-2025010963-A1 \"FISHEYE\"-FREE PERFLUOROPOLYETHER ELASTOMER COMPOSITION AND PREPARATION METHOD THEREFOR 上海森桓新材料科技有限公司 2025-01-16 WO disclosed