SCHEMBL17633710

SCHEMBL17633710

C=C(C)C1CCC2=CCCCC2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
ALDH1A1 P00352 4/20 0.39
ALOX15 P16050 1/20 0.39
CYP1B1 Q16678 1/20 0.39
TSHR P16473 2/20 0.38
TRPA1 O75762 1/20 0.38
TP53 P04637 1/20 0.34
KDM4E B2RXH2 1/20 0.31
PGR P06401 1/20 0.30
MAOA P21397 1/20 0.30
OPRK1 P41145 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
CA7 P43166 1/20 0.30

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
SCHEMBL19257857 0.72 CYP2C19 (0.40) LMNAALDH1A1ALOX15CYP1B1TSHR
SCHEMBL18175548 0.72 CYP2C19 (0.40) LMNAALDH1A1ALOX15CYP1B1TSHR
SCHEMBL10934615 0.71
SCHEMBL29034285 0.70 LMNA (0.33) LMNAALDH1A1ALOX15CYP1B1TSHR
SCHEMBL22571132 0.70 LMNA (0.36) LMNAALDH1A1ALOX15CYP1B1TSHR
SCHEMBL29034282 0.70 LMNA (0.39) LMNAALDH1A1ALOX15CYP1B1TSHR
SCHEMBL27553174 0.69 LMNA (0.44) LMNAALDH1A1ALOX15CYP1B1TSHR
SCHEMBL7450002 0.69 KDM1A (0.42) KDM1A
SCHEMBL7455248 0.69 HTR1A (0.36) KDM1A
SCHEMBL121088 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3197426-A1 FRESHENING COMPOSITIONS AND DEVICES COMPRISING SAME THE PROCTER & GAMBLE COMPANY (US) 2017-08-02 EP claimed
WO-2016049397-A1 FRESHENING COMPOSITIONS AND DEVICES COMPRISING SAME THE PROCTER & GAMBLE COMPANY (US) 2016-03-31 WO claimed