SCHEMBL7977922

SCHEMBL7977922

CCCCCCCCCc1nc(C(=O)OC)c(-c2ccc(C)cc2)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
TARBP2 Q15633 1/20 0.41
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
GPR84 Q9NQS5 5/20 0.40
GCGR P47871 1/20 0.39
RNASEH1 O60930 1/20 0.38

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
SCHEMBL7995274 1.00 ALDH1A1 (0.42) ALDH1A1KDM4EPKMHPGDNPSR1
SCHEMBL7992103 0.86 GPR84 (0.43) ALDH1A1KMT2AGPR84
SCHEMBL7992097 0.86 GPR84 (0.43) ALDH1A1KMT2AGPR84
SCHEMBL7995385 0.81 MMP2 (0.51) ALDH1A1KDM4EPKMHPGDNPSR1
SCHEMBL7991789 0.79 RAB9A (0.48) ALDH1A1KDM4EPOLBKMT2A
SCHEMBL7991861 0.79 RAB9A (0.48) ALDH1A1KDM4EPOLBKMT2A
Hydrochloric Acid SCHEMBL7991906 0.78 RAB9A (0.47) ALDH1A1KDM4EPOLBKMT2A
Hydrochloric Acid SCHEMBL7995684 0.78 RAB9A (0.47) ALDH1A1KDM4EPOLBKMT2A
SCHEMBL7995185 0.76 ALDH1A1 (0.51) ALDH1A1KDM4EPKMHPGDNPSR1
SCHEMBL7989981 0.72 ALDH1A1 (0.47) ALDH1A1KDM4EPKMHPGDNPSR1

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-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 US disclosed