SCHEMBL9137752

SCHEMBL9137752

COC(=O)[C@H](Cc1ccccc1)NP(=O)(O)OO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.53
ALDH1A1 P00352 3/20 0.52
THRB P10828 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
HSD17B10 Q99714 1/20 0.52
LMNA P02545 2/20 0.52
GLA P06280 1/20 0.52
POLB P06746 2/20 0.51
GAA P10253 1/20 0.50
RAB9A P51151 1/20 0.50
CA12 O43570 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
ANPEP P15144 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL9906187 0.81 ATM (0.55) ATMALDH1A1THRBCYP2C9CYP2C19
SCHEMBL9173368 0.81 POLB (0.56) ATMALDH1A1THRBCYP2C9CYP2C19
SCHEMBL27478528 0.78 ATM (0.55) ATMALDH1A1THRBCYP2C9CYP2C19
SCHEMBL19304523 0.78 HPRT1 (0.61) ATMALDH1A1POLBGAARAB9A
SCHEMBL5288742 0.78 HPRT1 (0.61) ALDH1A1POLBGAARAB9AL3MBTL1
SCHEMBL13921739 0.78 ALDH1A1 (0.53) ATMALDH1A1THRBCYP2C9CYP2C19
SCHEMBL20181454 0.77 HPRT1 (0.48) ATMALDH1A1THRBCYP2C9CYP2C19
SCHEMBL12621364 0.77 ATM (0.50) ATMALDH1A1THRBCYP2C9CYP2C19
SCHEMBL8724389 0.77 ATM (0.63) ATMALDH1A1THRBCYP2C9CYP2C19
SCHEMBL12666720 0.77 ATM (0.63) ATMALDH1A1THRBCYP2C9CYP2C19

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
US-5475129-A Phosphonoalkyl phenylalanine compounds suitably protected for use in peptide synthesis THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1995-12-12 US disclosed
WO-1993025561-A1 PHOSPHONOALKYL PHENYLALANINE COMPOUNDS SUITABLY PROTECTED FOR USE IN PEPTIDE SYNTHESIS THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1993-12-23 WO disclosed
US-5264607-A Process of making benzylic α,α-diflurophosphonates from benzylic α-ketophosphorates THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1993-11-23 US disclosed