SCHEMBL8864569

SCHEMBL8864569

CCC1(CC)C(N=S(=O)=O)C1c1ccc(OC)cc1.CNC(=S)NC=O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ KMT2A Q03164 1/20 0.30
▸ GUSB P08236 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ MAPT P10636 1/20 0.30

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
SCHEMBL8864420 0.89 ALDH1A1 (0.32) HPGDKDM4ELMNACYP1A2CYP3A4
SCHEMBL8865183 0.86 HPGD (0.36) HPGDTDP1KDM4ELMNACYP1A2
SCHEMBL8864541 0.77 HPGD (0.34) HPGDTDP1KDM4ELMNACYP1A2
SCHEMBL8864447 0.74 PLK1 (0.33) HPGDKDM4ELMNACYP1A2CYP3A4
SCHEMBL8864941 0.74 TDP1 (0.33) HPGDTDP1KDM4ELMNA
SCHEMBL8864591 0.65 MAPT (0.32) CYP1A2CYP3A4CYP2C9PKMCYP2C19
SCHEMBL27582701 0.55 NPC1 (0.61) HPGDKDM4EPKMKMT2AGAA
SCHEMBL12177297 0.54 HPGD (1.00) HPGDLMNACYP1A2CYP2C9CYP2C19
SCHEMBL20496927 0.54 ALDH1A1 (0.83) TDP1KDM4ELMNAPKMKMT2A
SCHEMBL6326547 0.54 ALDH1A1 (0.42) HPGDKDM4EKMT2AGAAMAPT

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
US-5633239-A CARDIOVASCULAR DISORDERS; HYPOGLYCEMIC AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1997-05-27 — — US disclosed
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