SCHEMBL15213119

SCHEMBL15213119

CN[C@H](C=O)Cc1ccc(OP(=O)(O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.43
SRC P12931 6/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GRB2 P62993 1/20 0.38
ZAP70 P43403 5/20 0.37
CAPN1 P07384 4/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL15203067 0.80 PGK1 (0.45) CAPN1
SCHEMBL15855460 0.80 CA2 (0.41) BLMSRCSMN1; SMN2GRB2CAPN1
SCHEMBL25660764 0.80 LDHA (0.50) CYP2C19SMN1; SMN2
SCHEMBL20353307 0.78 ESR1 (0.42)
SCHEMBL18362262 0.77 ANPEP (0.45) BLMSRCCYP2C19SMN1; SMN2GRB2
SCHEMBL18403599 0.77 NQO1 (0.45)
SCHEMBL14490963 0.77 SRC (0.47) BLMSRCGRB2ZAP70
SCHEMBL15315066 0.77 SRC (0.47) BLMSRCGRB2ZAP70
SCHEMBL16684116 0.77 SRC (0.47) BLMSRCGRB2ZAP70CA2
SCHEMBL9630785 0.76 TAAR1 (0.46) CAPN1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3769776-A1 PEPTIDOMIMETIC MACROCYCLES Aileron Therapeutics, Inc. (US) 2021-01-27 EP disclosed
EP-2822572-B1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS INC (US) 2020-06-10 EP disclosed
WO-2016154058-A1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF AILERON THERAPEUTICS, INC. (US) 2016-09-29 WO disclosed
WO-2016049355-A1 PEPTIDOMIMETIC MACROCYCLES AND FORMULATIONS THEREOF AILERON THERAPEUTICS, INC. (US) 2016-03-31 WO disclosed
WO-2016049359-A1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF AILERON THERAPEUTICS, INC. (US) 2016-03-31 WO disclosed
WO-2015157508-A1 PEPTIDOMIMETIC MACROCYCLES WITH PTH ACTIVITY AILERON THERAPEUTICS, INC. (US) 2015-10-15 WO disclosed
WO-2014138429-A2 PEPTIDOMIMETIC MACROCYCLES AND USE THEREOF IN REGULATING HIF1ALPHA AILERON THERAPEUTICS, INC. (US) 2014-09-12 WO disclosed
WO-2013123266-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2013-08-22 WO disclosed