SCHEMBL7455271

SCHEMBL7455271

CCCCCCCCCC=C(C)CCCC=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.61
FAAH O00519 4/20 0.55
TRPV1 Q8NER1 2/20 0.55
EP300 Q09472 1/20 0.46
TOP1 P11387 3/20 0.43
LSS P48449 1/20 0.41
TERT O14746 3/20 0.40
CYP1A2 P05177 2/20 0.40
MAPT P10636 2/20 0.40
CYP2C19 P33261 2/20 0.40
BLM P54132 2/20 0.40
HSD17B10 Q99714 2/20 0.40
FABP4 P15090 2/20 0.40
PTPN1 P18031 2/20 0.40
PPARG P37231 2/20 0.40
KMT2A Q03164 2/20 0.40
PPARD Q03181 2/20 0.40
PPARA Q07869 2/20 0.40
GMNN O75496 1/20 0.40
USP2 O75604 1/20 0.40

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
SCHEMBL7455269 1.00 TSHR (0.61) TSHRFAAHTRPV1EP300TOP1
SCHEMBL28901846 0.92 TSHR (0.58) TSHRFAAHTRPV1EP300LSS
SCHEMBL2411571 0.90 TSHR (0.58) TSHRFAAHTRPV1EP300TOP1
SCHEMBL2417497 0.90 TSHR (0.58) TSHRFAAHTRPV1EP300TOP1
SCHEMBL2411575 0.90 TSHR (0.58) TSHRFAAHTRPV1EP300TOP1
SCHEMBL6711719 0.86 TSHR (0.52) TSHRFAAHTRPV1TOP1LSS
SCHEMBL6711721 0.86 TSHR (0.52) TSHRFAAHTRPV1TOP1LSS
SCHEMBL9545718 0.86 EP300 (0.48) FAAHEP300TOP1LSSTERT
SCHEMBL9545687 0.86 EP300 (0.48) FAAHEP300TOP1LSSTERT
SCHEMBL9545730 0.86 EP300 (0.48) FAAHEP300TOP1LSSTERT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0889945-B1 FRAGRANT MACROCYCLIC LACTONES FIRMENICH & CIE (CH) 2002-12-04 EP disclosed
US-RE36493-E Fragrant macrocyclic lactones FIRMENICH SA (CH) 2000-01-11 US disclosed
US-5792740-A PERFUMES; MUSKY ODORS FIRMENICH SA (CH) 1998-08-11 US disclosed