SCHEMBL28963433

SCHEMBL28963433

C=CC(=O)c1ccc2c(c1)CCC2(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.42
▸ MAPT P10636 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ BLM P54132 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ GRM1 Q13255 1/20 0.42
▸ TP53 P04637 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ EGFR P00533 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ ALOX12 P18054 1/20 0.41

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
SCHEMBL12516220 0.81 MAPT (0.53) KDM4EMAPTALDH1A1TDP1MEN1
SCHEMBL25369126 0.79 RXRA (0.41) KDM4EMAPTALDH1A1TDP1MEN1
SCHEMBL14817238 0.77 KDM1A (0.44) KDM4EMAPTALDH1A1TDP1MEN1
SCHEMBL12517014 0.76 KDM1A (0.43) KDM4EMAPTALDH1A1TDP1MEN1
SCHEMBL2224448 0.76 GNG2 (0.45) KDM4EMAPTALDH1A1TDP1MEN1
SCHEMBL12517435 0.74 KDM1A (0.42) KDM4EMAPTALDH1A1TDP1MEN1
SCHEMBL8731089 0.73 RXRA (0.54) KDM4EMAPTALDH1A1TDP1MEN1
SCHEMBL4425637 0.72 RXRA (0.51) KDM4EMAPTALDH1A1TDP1MEN1
SCHEMBL8375020 0.72 RXRA (0.61) KDM4EMAPTALDH1A1TDP1MEN1
SCHEMBL8836273 0.72 MAPT (0.58) KDM4EMAPTALDH1A1TDP1MEN1

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-115768740-A Process for preparing indene acrolein derivative 弗门尼舍有限公司 2023-03-07 — — CN disclosed
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