SCHEMBL7759900

SCHEMBL7759900

[O]C(NC(=O)OCc1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.57
ALDH1A1 P00352 3/20 0.57
CYP1A2 P05177 3/20 0.57
CTSL P07711 1/20 0.57
CTSS P25774 1/20 0.57
ATM Q13315 2/20 0.55
CYP3A4 P08684 5/20 0.53
CYP2C9 P11712 3/20 0.53
CYP2C19 P33261 3/20 0.53
TSHR P16473 3/20 0.53
POLB P06746 1/20 0.53
CASP1 P29466 1/20 0.53
CYP2D6 P10635 1/20 0.53
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
CTSK P43235 2/20 0.51
TACR1 P25103 2/20 0.51
KLK1 P06870 1/20 0.51

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
SCHEMBL19062411 0.84 CTRB1 (0.62) CTRB1ALDH1A1CYP1A2CTSLCTSS
SCHEMBL11677527 0.83 CTSL (0.64) CTRB1ALDH1A1CYP1A2CTSLCTSS
SCHEMBL30460502 0.82 ATM (0.68) CTRB1ALDH1A1CYP1A2CTSLCTSS
SCHEMBL21469067 0.82 ATM (0.68) CTRB1ALDH1A1CYP1A2CTSLCTSS
SCHEMBL7719287 0.82 ATM (0.77) CTRB1ALDH1A1CYP1A2CTSLCTSS
SCHEMBL7291093 0.82 CTRB1 (0.56) CTRB1ALDH1A1CYP1A2CTSLCTSS
SCHEMBL1362502 0.82 ATM (0.77) CTRB1ALDH1A1CYP1A2CTSLCTSS
SCHEMBL3255533 0.82 ATM (0.77) CTRB1ALDH1A1CYP1A2CTSLCTSS
SCHEMBL8530402 0.82 ATM (0.68) CTRB1ALDH1A1CYP1A2CTSLCTSS
SCHEMBL434233 0.82 ATM (0.77) CTRB1ALDH1A1CYP1A2CTSLCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0639586-B1 Phosphonic acid derivatives, process for their preparation and pharmaceutical compositions comprising them ADIR (FR) 2001-03-21 EP claimed
EP-0639586-A1 Phosphonic acid derivatives, process for their preparation and pharmaceutical compositions comprising them ADIR ET COMPAGNIE (FR) 1995-02-22 EP claimed