SCHEMBL9756830

SCHEMBL9756830

CCc1ccnc(/C=C/C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.44
KDM4E B2RXH2 8/20 0.43
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
PKM P14618 1/20 0.38
P4HTM Q9NXG6 1/20 0.38
GAA P10253 2/20 0.38
MITF O75030 1/20 0.38
HPGD P15428 1/20 0.38
KLF5 Q13887 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 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
SCHEMBL9756832 1.00 PTGS2 (0.44) PTGS2KDM4EALDH1A1SMN1; SMN2NOS3
SCHEMBL23015846 0.86 NOS3 (0.46) PTGS2KDM4EALDH1A1NOS3NOS1
SCHEMBL12501387 0.83 NOS3 (0.40) ALDH1A1NOS3NOS1NOS2PKM
SCHEMBL2956488 0.78 SMN1; SMN2 (0.42) KDM4EALDH1A1SMN1; SMN2NOS3NOS1
SCHEMBL2956493 0.78 SMN1; SMN2 (0.42) KDM4EALDH1A1SMN1; SMN2NOS3NOS1
SCHEMBL22007014 0.78 NOS2 (0.50) KDM4ENOS3NOS1NOS2PKM
SCHEMBL6642166 0.75 NOS3 (0.52) KDM4EALDH1A1SMN1; SMN2NOS3NOS1
SCHEMBL13964557 0.75 ITGB2 (0.42) KDM4EALDH1A1SMN1; SMN2P4HTMRAB9A
SCHEMBL9000442 0.75 NOS3 (0.47) KDM4EALDH1A1SMN1; SMN2NOS3NOS1
SCHEMBL18989993 0.75 NPSR1 (0.50) KDM4EALDH1A1PKMP4HTMGAA

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
US-5039684-A Absorption when administered orally VALEAS S. P. A. (IT) 1991-08-13 US disclosed
EP-0384450-A1 Tetrazole amide derivatives of heterocyclic alkenyl acids and their use as antiallergic substances VALEAS S.p.A. INDUSTRIA CHIMICA E FARMACEUTICA (IT) 1990-08-29 EP disclosed