SCHEMBL7900328

SCHEMBL7900328

CCCC[C@H](NC(=O)N[C@@H](CC(=O)O)c1ccc2c(c1)OCO2)C(=O)N1CCN(Cc2cccc(C#N)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 5/20 0.43
FAAH O00519 3/20 0.42
MCHR1 Q99705 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
HTT P42858 2/20 0.40
POLB P06746 1/20 0.39
CHRM3 P20309 2/20 0.39
TSHR P16473 2/20 0.39
GAA P10253 1/20 0.39
LMNA P02545 1/20 0.39
ITGB3 P05106 1/20 0.38
ITGAV P06756 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
SCHEMBL7902069 0.84 GAA (0.41) GAAITGB3ITGAV
SCHEMBL4701810 0.84 ALDH1A1 (0.44) ALDH1A1KDM4EFAAHMCHR1MAPT
SCHEMBL4702813 0.83 ALDH1A1 (0.45) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL7900104 0.83 APOBEC3A (0.47) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL4701020 0.81 P2RY12 (0.43) GAAITGB3ITGAV
SCHEMBL7892913 0.80 ITGB3 (0.40) ALDH1A1GAALMNAITGB3ITGAV
SCHEMBL7892917 0.80 ITGB3 (0.44) GAAITGB3ITGAV
SCHEMBL4698653 0.78 LMNA (0.47) ALDH1A1SMN1; SMN2MAPTPOLBGAA
SCHEMBL7900498 0.78 CCR1 (0.46) SMN1; SMN2GAAITGB3ITGAV
SCHEMBL4698338 0.78 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTMEN1KMT2A

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-6194448-B1 ANTIINFLAMMATORY AGENTS; ASTHMA; RHEUMATIC DISORDERS TEXAS BIOTECHNOLOGY CORPORATION 2001-02-27 US disclosed