SCHEMBL7441380

SCHEMBL7441380

CCOC(=O)[C@@](C)(NC(C)=O)NC(=O)[C@@H]1CCCN(C(=O)/C=C/C2CCN(C(=O)OC(C)(C)C)CC2)C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 1/20 0.38
EPHX1 P07099 1/20 0.37
HTT P42858 2/20 0.36
GAA P10253 2/20 0.36
ABL1 P00519 1/20 0.35
RIN1 Q13671 1/20 0.35
CHRM1 P11229 2/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALOX15 P16050 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL7446666 0.91 ALDH1A1 (0.37) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL7444188 0.88 KDM4E (0.46) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL7442559 0.86 KMT2A (0.41) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL7449634 0.85 ALDH1A1 (0.40) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL7449642 0.84 CHRM1 (0.40) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL7496489 0.83 ITGB3 (0.43) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL7441377 0.82 ITGB3 (0.38) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL7441372 0.82 MEN1 (0.39) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL7441748 0.81 CHRM1 (0.44) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL7443765 0.81 HPGD (0.42) ALDH1A1MAPTMEN1KMT2AHPGD

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-1996029309-A1 N-ACYLPIPERIDINYLCARBONYLAMINOCARBOXYLIC ACIDS AND THEIR USE AS GLYCOPROTEIN IIB/IIa ANTAGONISTS AND FIBRINOGEN-BLOOD PLATELETS BINDING INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-09-26 WO disclosed