SCHEMBL3335779

SCHEMBL3335779

CCCCCCC[CH]CC(C)CC

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
FAAH O00519 2/20 0.37
TRPV1 Q8NER1 1/20 0.37
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36
ADH4 P08319 1/20 0.36
ADH7 P40394 1/20 0.36
THRB P10828 1/20 0.36
DNM1 Q05193 3/20 0.35
TRPM8 Q7Z2W7 2/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
KMT2A Q03164 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
SCHEMBL27592030 1.00 TSHR (0.41) TSHRFAAHTRPV1ADH1BADH1C
SCHEMBL6884225 1.00 TSHR (0.41) TSHRFAAHTRPV1ADH1BADH1C
SCHEMBL4450507 0.98 TSHR (0.37) TSHRFAAHTRPV1ADH1BADH1C
SCHEMBL3335346 0.91 TSHR (0.36) TSHRADH1BADH1CADH1AADH4
SCHEMBL5958221 0.90 TSHR (0.37) TSHRFAAHTRPV1ADH1BADH1C
SCHEMBL10689088 0.84 ADH1B (0.39) TSHRFAAHTRPV1ADH1BADH1C
SCHEMBL16333470 0.84 DNM1 (0.41) TSHRFAAHTRPV1ADH1BADH1C
SCHEMBL10497894 0.84 ADH1B (0.39) TSHRFAAHTRPV1ADH1BADH1C
SCHEMBL22471830 0.84 ADH1B (0.44) TSHRFAAHTRPV1ADH1BADH1C
SCHEMBL11615494 0.84 ADH1B (0.44) TSHRFAAHTRPV1ADH1BADH1C

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103619987-B Color converter 巴斯夫欧洲公司 2016-11-16 CN disclosed
US-20100143273-A1 COSMETIC COMPOSITION COMPRISING AT LEAST ONE APROTIC HYDROCARBON-BASED VOLATILE SOLVENT L'OREAL S.A. (FR) 2010-06-10 US disclosed
EP-2083789-A1 COSMETIC COMPOSITION COMPRISING AT LEAST ONE APROTIC HYDROCARBON-BASED VOLATILE SOLVENT L'Oréal (FR) 2009-08-05 EP disclosed
WO-2008061985-A1 COSMETIC COMPOSITION COMPRISING AT LEAST ONE APROTIC HYDROCARBON-BASED VOLATILE SOLVENT L'OREAL (FR) 2008-05-29 WO disclosed