SCHEMBL8820522

SCHEMBL8820522

COC(=O)CC[C@H](NC(=O)c1ccc(Cl)nc1)C(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
TAS1R3 Q7RTX0 3/20 0.47
TAS1R1 Q7RTX1 3/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
RAB9A P51151 3/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
PKM P14618 2/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 2/20 0.42

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
SCHEMBL8820531 1.00 LMNA (0.50) LMNASMN1; SMN2TAS1R3TAS1R1MEN1
SCHEMBL9556205 0.86 L3MBTL1 (0.59) LMNASMN1; SMN2KMT2AMAPTCYP1A2
SCHEMBL9556198 0.86 L3MBTL1 (0.59) LMNASMN1; SMN2KMT2AMAPTCYP1A2
SCHEMBL16691198 0.85 HDAC1 (0.47) TAS1R3TAS1R1KMT2AL3MBTL1CA12
SCHEMBL8819493 0.83 GRM5 (0.43) TAS1R3TAS1R1KMT2AL3MBTL1RAB9A
SCHEMBL4680782 0.80 LMNA (0.52) LMNASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL4678063 0.80 LMNA (0.49) LMNASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL8820790 0.80 GRM5 (0.45) TAS1R3TAS1R1L3MBTL1CA12CA1
SCHEMBL6029601 0.80 RAB9A (0.64) LMNASMN1; SMN2CYP2C9CYP2C19L3MBTL1
SCHEMBL8972761 0.79 L3MBTL1 (0.52) TAS1R3TAS1R1L3MBTL1CA12CA1

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-1997049705-A1 5,6,7,8-TETRAHYDROPYRIDO[2,3-d]PYRIMIDINE DERIVATIVES THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1997-12-31 WO disclosed