SCHEMBL28969727

SCHEMBL28969727

CC(C)Cc1ccc(OC(=O)Cc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
CYP19A1 P11511 1/20 0.54
KMT2A Q03164 3/20 0.52
HPGD P15428 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
ATM Q13315 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
ASAH1 Q13510 1/20 0.50
PTGS2 P35354 1/20 0.48
PPARG P37231 3/20 0.48
PPARA Q07869 3/20 0.48

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
Lactic Acid SCHEMBL3196472 0.84 CYP19A1 (0.61) TSHRCYP19A1KMT2AHPGDL3MBTL1
SCHEMBL248142 0.82 PTGS2 (0.51) TSHRPTGS2PPARGPPARA
SCHEMBL15377586 0.82 CYP19A1 (0.58) TSHRCYP19A1KMT2AHPGDL3MBTL1
SCHEMBL8124895 0.81 ALDH1A1 (0.72) TSHRL3MBTL1PTGS2PPARGPPARA
SCHEMBL538524 0.81 CYP19A1 (0.76) TSHRCYP19A1KMT2AHPGDL3MBTL1
SCHEMBL5835239 0.81 KDM4E (0.56) TSHRKMT2AHPGDL3MBTL1ATM
SCHEMBL1171462 0.80 L3MBTL1 (0.65) CYP19A1KMT2AHPGDL3MBTL1ATM
SCHEMBL789755 0.80 SMN1; SMN2 (0.60) TSHRCYP19A1KMT2AHPGDL3MBTL1
SCHEMBL577068 0.80 ESR1 (0.57) TSHRKMT2ASMN1; SMN2PTGS2
SCHEMBL13524217 0.80 L3MBTL1 (0.57) TSHRKMT2AL3MBTL1ATMTDP1

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-115836061-A Odorants and compositions comprising odorants 丝趣科尔卡有限公司 2023-03-21 CN disclosed