SCHEMBL29249334

SCHEMBL29249334

CC(C)CC(=O)CCc1ccc(CC(C)C)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.53
TRPV1 Q8NER1 2/20 0.50
PTGS1 P23219 4/20 0.49
PTGS2 P35354 4/20 0.49
LMNA P02545 2/20 0.49
CYP2C9 P11712 2/20 0.49
AKR1C3 P42330 2/20 0.49
CXCR1 P25024 2/20 0.49
CXCR2 P25025 2/20 0.49
ALB P02768 1/20 0.49
ESR1 P03372 1/20 0.49
ALOX5 P09917 1/20 0.49
RARB P10826 1/20 0.49
ADRB3 P13945 1/20 0.49
NFKB1 P19838 1/20 0.49
HTR2A P28223 1/20 0.49
NR1I3 Q14994 1/20 0.49
SLC22A6 Q4U2R8 1/20 0.49
CXCL8 P10145 1/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL105364 0.85 TRPV1 (0.59) TRPA1TRPV1LMNACYP2C9ESR1
SCHEMBL10365623 0.84 PLAAT3 (0.49) TRPA1TRPV1
SCHEMBL110046 0.83 TRPA1 (0.64) TRPA1TRPV1ALOX5
SCHEMBL664336 0.82 FFAR1 (0.61) PTGS1PTGS2LMNACYP2C9AKR1C3
Water SCHEMBL9330654 0.81 FFAR1 (0.59) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL5196414 0.81 ALDH1A1 (0.59) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL14498135 0.81 F2RL1 (0.47) TRPA1PTGS1PTGS2LMNACYP2C9
SCHEMBL4295436 0.81 F2RL1 (0.70) LMNAALOX5NFKB1
SCHEMBL10752257 0.80 PTGS2 (0.44) TRPA1PTGS1PTGS2LMNACYP2C9
SCHEMBL10655120 0.79 PTGS2 (0.50) PTGS1PTGS2LMNACYP2C9AKR1C3

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-111183136-B Amber odorant 弗门尼舍有限公司 2024-05-28 CN disclosed