SCHEMBL21376375

SCHEMBL21376375

Cc1cc(OC(C)C)cc(C)c1C(=O)N[C@@H](CNC(=O)NCc1cccnc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.54
▸ HPGD P15428 1/20 0.54
▸ LMNA P02545 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ NAMPT P43490 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ RECQL P46063 1/20 0.44
▸ EPHX1 P07099 1/20 0.44
▸ GPR132 Q9UNW8 1/20 0.44
▸ FES P07332 1/20 0.43
▸ RET P07949 1/20 0.43
▸ MARK3 P27448 1/20 0.43
▸ TYK2 P29597 1/20 0.43

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
SCHEMBL21358736 0.89 L3MBTL1 (0.48) SMN1; SMN2
SCHEMBL21358738 0.89 L3MBTL1 (0.48) SMN1; SMN2
SCHEMBL21376372 0.89 NAMPT (0.50) LMNAKMT2ANAMPTALDH1A1HTT
SCHEMBL21376639 0.84 OPRM1 (0.43) LMNAKMT2AMEN1ALDH1A1
SCHEMBL21376641 0.84 ITGB1 (0.42) LMNAKMT2AMEN1TDP1NAMPT
SCHEMBL21376638 0.83 ALDH1A1 (0.46) POLBLMNAKMT2AMEN1ALDH1A1
SCHEMBL21376637 0.83 PPID (0.45) LMNATDP1NAMPTALDH1A1
SCHEMBL21358729 0.79 PTPN1 (0.54) KMT2AALDH1A1SMN1; SMN2
SCHEMBL21358730 0.79 PTPN1 (0.54) KMT2AALDH1A1SMN1; SMN2
SCHEMBL21376376 0.78 ITGA4 (0.51) KMT2AMEN1NAMPTHTTFES

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
WO-2019178248-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-09-19 — — WO disclosed
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