SCHEMBL28501282

SCHEMBL28501282

CCCCCCCCCCCC(Cl)CCCCC

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
THRB P10828 1/20 0.50
LMNA P02545 1/20 0.48
DNM1 Q05193 2/20 0.48
OPRM1 P35372 1/20 0.46
ALDH1A1 P00352 1/20 0.45
GPR84 Q9NQS5 3/20 0.42
FDPS P14324 3/20 0.42
SPHK1 Q9NYA1 1/20 0.42
FFAR1 O14842 1/20 0.42
MAPT P10636 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL19632370 1.00 TSHR (0.50) TSHRTHRBLMNADNM1OPRM1
SCHEMBL30232622 1.00 TSHR (0.50) TSHRTHRBLMNADNM1OPRM1
SCHEMBL9457585 1.00 TSHR (0.50) TSHRTHRBLMNADNM1OPRM1
SCHEMBL28346982 1.00 TSHR (0.50) TSHRTHRBLMNADNM1OPRM1
SCHEMBL28474884 1.00 TSHR (0.50) TSHRTHRBLMNADNM1OPRM1
SCHEMBL31596116 1.00 TSHR (0.50) TSHRTHRBLMNADNM1OPRM1
SCHEMBL23951461 1.00 TSHR (0.50) TSHRTHRBLMNADNM1OPRM1
SCHEMBL18722590 1.00 TSHR (0.50) TSHRTHRBLMNADNM1OPRM1
SCHEMBL2892345 1.00 TSHR (0.50) TSHRTHRBLMNADNM1OPRM1
SCHEMBL27801520 1.00 TSHR (0.50) TSHRTHRBLMNADNM1OPRM1

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
CN-107884493-B Method for analyzing short-chain chlorinated paraffin in environmental sample by using full-two-dimensional gas chromatography-time-of-flight mass spectrometry 国家地质实验测试中心 2020-11-24 CN disclosed