SCHEMBL7644614

SCHEMBL7644614

COc1ccc(CC(C)C=O)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ CRHBP P24387 2/20 0.46
▸ CRHR2 Q13324 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ ALOX15 P16050 3/20 0.45
▸ ALOX12 P18054 3/20 0.45
▸ LDHA P00338 1/20 0.44
▸ FOS P01100 1/20 0.41
▸ TTR P02766 1/20 0.41
▸ JUN P05412 1/20 0.41
▸ NR3C1 P04150 1/20 0.41
▸ HSD17B1 P14061 1/20 0.41
▸ HSD17B2 P37059 1/20 0.41
▸ TAS1R3 Q7RTX0 2/20 0.40
▸ TAS1R1 Q7RTX1 2/20 0.40
▸ DBH P09172 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ MAPT P10636 1/20 0.39

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
SCHEMBL5792794 0.87 LDHA (0.58) TP53TSHRSMN1; SMN2ALOX15ALOX12
SCHEMBL17693614 0.83 TP53 (0.43) TP53TSHRCRHBPCRHR2SMN1; SMN2
SCHEMBL17693635 0.82 TP53 (0.42) TP53TSHRCRHBPCRHR2SMN1; SMN2
SCHEMBL25395008 0.81 TP53 (0.53) TP53TSHRALOX15ALOX12FOS
SCHEMBL29781139 0.81 TP53 (0.53) TP53TSHRALOX15ALOX12FOS
SCHEMBL6862682 0.81 ALOX15 (0.51) CRHBPCRHR2SMN1; SMN2ALOX15ALOX12
SCHEMBL5793231 0.79 FOS (0.69) TSHRALOX15ALOX12FOSTTR
SCHEMBL17571985 0.78 GABRA1 (0.54) CRHBPCRHR2SMN1; SMN2ALOX15ALOX12
SCHEMBL15342270 0.78 SLC6A4 (0.55) —
SCHEMBL9765336 0.78 SLC6A4 (0.55) —

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
WO-2002014253-A1 CYCLOHEXYL ETHERS AS FRAGRANCE COMPOUNDS QUEST INTERNATIONAL B.V. (NL) 2002-02-21 — — WO claimed
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