SCHEMBL9803144

SCHEMBL9803144

CC(C)N1C(=O)CCC2=C1CCCC2=O

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
RUNX1 Q01196 1/20 0.33
CBFB Q13951 1/20 0.33
HKDC1 Q2TB90 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL9455488 0.75 SRD5A1 (0.46) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL718764 0.73 PIK3CD (0.41) ALDH1A1GAAMAPTCYP2D6CYP2C9
SCHEMBL1698550 0.72 SMN1; SMN2 (0.41) ALDH1A1GAAMAPTCYP2D6CYP2C9
SCHEMBL11237446 0.71 KDM4E (0.33) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL9803355 0.70 ALDH1A1 (0.40) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL21278138 0.68 PIK3CD (0.41) ALDH1A1GAAMAPTCYP2D6CYP2C9
SCHEMBL21500436 0.66 PIK3CD (0.40) ALDH1A1GAAMAPTCYP2D6CYP2C9
SCHEMBL9802927 0.66 MGLL (0.42) KDM4EMAPTCYP2D6CYP2C9CHRM2
SCHEMBL9802715 0.64 HTT (0.36) ALDH1A1
SCHEMBL20936142 0.64 PIK3CD (0.35) ALDH1A1CYP2D6CYP2C9CHRM2CHRM4

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-5068334-A Analgesics and antipyretics KARL THOMAE GMBH (DE) 1991-11-26 US disclosed
EP-0338228-A2 Use of quinoline-2,5-diones in a medicament having an analgesic, antipyretic and/or antiphlogistic activity Dr. Karl Thomae GmbH (DE) 1989-10-25 EP disclosed