SCHEMBL1532571

SCHEMBL1532571

CCCCCC=CCC/C=C\C=O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.75
ALDH1A1 P00352 1/20 0.75
FAAH O00519 4/20 0.60
TRPV1 Q8NER1 2/20 0.60
TOP1 P11387 3/20 0.50
FASN P49327 1/20 0.48
TERT O14746 3/20 0.47
PTPN1 P18031 3/20 0.47
CYP1A2 P05177 2/20 0.47
MAPT P10636 2/20 0.47
CYP2C19 P33261 2/20 0.47
BLM P54132 2/20 0.47
HSD17B10 Q99714 2/20 0.47
FABP4 P15090 2/20 0.47
PPARG P37231 2/20 0.47
KMT2A Q03164 2/20 0.47
PPARD Q03181 2/20 0.47
PPARA Q07869 2/20 0.47
GMNN O75496 1/20 0.47
USP2 O75604 1/20 0.47

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
SCHEMBL27200263 1.00 TSHR (0.75) TSHRALDH1A1FAAHTRPV1TOP1
SCHEMBL567145 1.00 TSHR (0.75) TSHRALDH1A1FAAHTRPV1TOP1
SCHEMBL2519008 1.00 TSHR (0.75) TSHRALDH1A1FAAHTRPV1TOP1
SCHEMBL567144 1.00 TSHR (0.75) TSHRALDH1A1FAAHTRPV1TOP1
SCHEMBL18941572 0.98 TSHR (0.72) TSHRALDH1A1FAAHTRPV1TOP1
SCHEMBL18941588 0.98 TSHR (0.72) TSHRALDH1A1FAAHTRPV1TOP1
SCHEMBL18941570 0.98 TSHR (0.72) TSHRALDH1A1FAAHTRPV1TOP1
SCHEMBL27857922 0.98 TSHR (0.72) TSHRALDH1A1FAAHTRPV1TOP1
SCHEMBL18941577 0.98 TSHR (0.72) TSHRALDH1A1FAAHTRPV1TOP1
SCHEMBL18941576 0.98 TSHR (0.72) TSHRALDH1A1FAAHTRPV1TOP1

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
CN-118059279-A Apparatus and method for reducing malodor on surfaces 宝洁公司 2024-05-24 CN claimed
CN-118059279-A Apparatus and method for reducing malodor on surfaces 宝洁公司 2024-05-24 CN disclosed
EP-2292585-A1 Screening for solid forms by ultrasound crystallization and cocrystallization using ultrasound APTUIT (KANSAS CITY), LLC (US) 2011-03-09 EP disclosed