SCHEMBL31604177

SCHEMBL31604177

CC(C)c1cccc(OP(O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.45
▸ TSHR P16473 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ HDAC4 P56524 2/20 0.43
▸ HDAC8 Q9BY41 2/20 0.43
▸ MDM4 O15151 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ TYR P14679 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ CA5A P35218 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ MDM2 Q00987 1/20 0.43
▸ CA9 Q16790 1/20 0.43

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
SCHEMBL2863259 0.84 KDM4E (0.47) KDM4ETSHRALDH1A1SMN1; SMN2HDAC4
SCHEMBL26769372 0.81 KDM4E (0.45) KDM4ETSHRALDH1A1SMN1; SMN2HDAC4
SCHEMBL28408519 0.80 L3MBTL1 (0.36) LMNAPTGS1ACHEMEN1KMT2A
SCHEMBL31029517 0.79 KMT2A (0.41) TSHRALDH1A1SMN1; SMN2CA1CA2
SCHEMBL11685628 0.78 KDM4E (0.49) KDM4ETSHRALDH1A1SMN1; SMN2HDAC4
SCHEMBL30345552 0.77 PTGS1 (0.56) KDM4ETSHRALDH1A1SMN1; SMN2HDAC4
SCHEMBL11063307 0.77 PTGS1 (0.56) KDM4ETSHRALDH1A1SMN1; SMN2HDAC4
SCHEMBL3120439 0.77 KDM4E (0.45) KDM4ETSHRALDH1A1SMN1; SMN2HDAC4
SCHEMBL11703421 0.77 KDM4E (0.42) KDM4ETSHRALDH1A1SMN1; SMN2HDAC4
SCHEMBL84440 0.75 HDAC4 (0.55) KDM4ETSHRALDH1A1HDAC4HDAC8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120054633-A Catalyst containing sulfur phosphite ligand and preparation method of hexamethylene dinitrile 北京旭阳科技有限公司 2025-05-30 — — CN claimed
CN-120054633-A Catalyst containing sulfur phosphite ligand and preparation method of hexamethylene dinitrile 北京旭阳科技有限公司 2025-05-30 — — CN disclosed
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