SCHEMBL7361409

SCHEMBL7361409

CN[C@@H](Cc1ccccc1)C(=O)OP(=O)(O)O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
GLA P06280 1/20 0.45
PIN1 Q13526 2/20 0.45
THRB P10828 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LAP3 P28838 4/20 0.44
POLB P06746 1/20 0.44
CTSL P07711 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
ANPEP P15144 1/20 0.42
TAAR1 Q96RJ0 2/20 0.42
SLC18A2 Q05940 1/20 0.42
SIGMAR1 Q99720 1/20 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
SCHEMBL17912499 0.87 ALDH1A1 (0.45) ATMALDH1A1LMNAGLATHRB
SCHEMBL9715661 0.85 POLB (0.48) ATMALDH1A1LMNAGLAPIN1
SCHEMBL3725043 0.82 ATM (0.63) ATMALDH1A1LMNAGLATHRB
SCHEMBL2734812 0.82 ATM (0.63) ATMALDH1A1LMNAGLATHRB
SCHEMBL8724389 0.82 ATM (0.63) ATMALDH1A1LMNAGLATHRB
Hydrochloric Acid SCHEMBL8724387 0.81 ATM (0.61) ATMALDH1A1LMNAGLATHRB
Hydrochloric Acid SCHEMBL7327532 0.81 ATM (0.61) ATMALDH1A1LMNAGLATHRB
SCHEMBL8337019 0.81 ATM (0.50) ATMALDH1A1LMNAGLATHRB
Phosphoric Acid SCHEMBL27956600 0.81 L3MBTL1 (0.55) L3MBTL1
SCHEMBL2059140 0.80 TACR1 (0.58) ALDH1A1POLBCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102131813-B Biocatalytic process for the preparation of substantially stereoisomerically pure fused bicyclic proline compounds CODEXIS INC 2014-07-30 CN disclosed
EP-0846127-A1 ACYLATED OLIGOPEPTIDE DERIVATIVES HAVING CELL SIGNAL INHIBITING ACTIVITY Novartis AG (CH) 1998-06-10 EP disclosed
WO-1997008193-A1 ACYLATED OLIGOPEPTIDE DERIVATIVES HAVING CELL SIGNAL INHIBITING ACTIVITY NOVARTIS AG (CH) 1997-03-06 WO disclosed