SCHEMBL29249332

SCHEMBL29249332

CC(C)Cc1ccc(CC(C)CC(C)C=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
TP53 P04637 1/20 0.49
PTGS1 P23219 4/20 0.42
PTGS2 P35354 4/20 0.42
LMNA P02545 2/20 0.42
CYP2C9 P11712 2/20 0.42
AKR1C3 P42330 2/20 0.42
CXCR1 P25024 2/20 0.42
CXCR2 P25025 2/20 0.42
ALB P02768 1/20 0.42
ESR1 P03372 1/20 0.42
ALOX5 P09917 1/20 0.42
RARB P10826 1/20 0.42
ADRB3 P13945 1/20 0.42
NFKB1 P19838 1/20 0.42
HTR2A P28223 1/20 0.42
NR1I3 Q14994 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
CXCL8 P10145 1/20 0.42
AKR1C2 P52895 1/20 0.42

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
SCHEMBL15866011 0.85 TSHR (0.46) TSHRTP53ALDH1A1MEN1KMT2A
SCHEMBL7931783 0.85 TAAR1 (0.50) TSHRTP53EPHX1MEN1KMT2A
SCHEMBL31412811 0.84 TSHR (0.66) TSHRTP53PTGS1PTGS2LMNA
SCHEMBL225582 0.84 TSHR (0.66) TSHRTP53PTGS1PTGS2LMNA
SCHEMBL29249333 0.74 PTGS1 (0.43) TSHRTP53PTGS1PTGS2LMNA
SCHEMBL2399751 0.74 TSHR (0.54) TSHRTP53PTGS1PTGS2LMNA
SCHEMBL1131597 0.73 PTGS1 (0.56) TSHRPTGS1PTGS2LMNACYP2C9
SCHEMBL4057353 0.73 PTGS1 (0.48) TSHRPTGS1PTGS2LMNACYP2C9
SCHEMBL1178318 0.72 PTGS1 (0.53) TSHRPTGS1PTGS2LMNACYP2C9
SCHEMBL2919840 0.72 PTGS1 (0.53) TSHRPTGS1PTGS2LMNACYP2C9

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