SCHEMBL11065983

SCHEMBL11065983

O=C1CC(CO)N1Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EHMT2 Q96KQ7 1/20 0.49
▸ CYP2C19 P33261 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ GAA P10253 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ STAT6 P42226 1/20 0.46
▸ ITGB1 P05556 1/20 0.46
▸ ITGA5 P08648 1/20 0.46
▸ TSHR P16473 3/20 0.45
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ HSD17B2 P37059 1/20 0.44
▸ ALOX15 P16050 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ F2 P00734 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
SCHEMBL27278853 1.00 EHMT2 (0.49) EHMT2CYP2C19HPGDCYP3A4GAA
SCHEMBL10982420 0.86 EHMT2 (0.46) EHMT2CYP2C19HPGDCYP3A4GAA
SCHEMBL7275104 0.85 HCRTR1 (0.47) EHMT2CYP2C19CYP3A4TSHR
SCHEMBL7275111 0.85 HCRTR1 (0.47) EHMT2CYP2C19CYP3A4TSHR
SCHEMBL30829326 0.85 HCRTR1 (0.47) EHMT2CYP2C19CYP3A4TSHR
SCHEMBL22443602 0.82 HCRTR1 (0.52) EHMT2CYP2C19CYP3A4ALDH1A1TSHR
SCHEMBL22443601 0.82 HCRTR1 (0.52) EHMT2CYP2C19CYP3A4ALDH1A1TSHR
SCHEMBL21538635 0.82 ALDH1A1 (0.50) EHMT2CYP2C19HPGDCYP3A4GAA
SCHEMBL10215486 0.81 P2RX7 (0.47) EHMT2CYP2C19HPGDCYP3A4GAA
SCHEMBL1914402 0.81 GSK3A (0.43) EHMT2CYP2C19HPGDCYP3A4GAA

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
US-4435322-A Heterocyclic compounds containing an alkoxycarbonyl and a substituted methyl group RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1984-03-06 — — US claimed
US-4435322-A Heterocyclic compounds containing an alkoxycarbonyl and a substituted methyl group RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1984-03-06 — — US disclosed
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