SCHEMBL9394698

SCHEMBL9394698

Cc1cc(OCc2ccccc2)ccc1-c1ccc(C(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.64
NR4A1 P22736 1/20 0.64
NR4A3 Q92570 1/20 0.64
SRD5A2 P31213 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.58
TSHR P16473 1/20 0.58
P2RY14 Q15391 1/20 0.57
PLA2G4B P0C869 1/20 0.57
MRGPRX4 Q96LA9 3/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
MAOB P27338 1/20 0.54
GSTP1 P09211 1/20 0.54
RXRA P19793 3/20 0.53
RXRB P28702 3/20 0.53
RXRG P48443 2/20 0.53
PPARG P37231 1/20 0.53
PPARA Q07869 1/20 0.53
POLB P06746 2/20 0.52
NPC1 O15118 1/20 0.52

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
SCHEMBL9394690 0.92 NR4A2 (0.64) NR4A2NR4A1NR4A3SRD5A2SMN1; SMN2
SCHEMBL9939296 0.88 P2RY14 (0.59) NR4A2NR4A1NR4A3SRD5A2SMN1; SMN2
SCHEMBL8437505 0.86 NR4A2 (0.62) NR4A2NR4A1NR4A3SRD5A2SMN1; SMN2
SCHEMBL3750003 0.83 RXRA (0.61) SRD5A2SMN1; SMN2PLA2G4BRXRARXRB
SCHEMBL4949143 0.81 NR4A2 (0.90) NR4A2NR4A1NR4A3SRD5A2SMN1; SMN2
SCHEMBL1022035 0.80 MAOB (0.64) NR4A2NR4A1NR4A3SRD5A2SMN1; SMN2
Benzene SCHEMBL28056879 0.80 MAOB (0.64) NR4A2NR4A1NR4A3SRD5A2SMN1; SMN2
Hydrochloric Acid SCHEMBL8378883 0.80 NR4A2 (0.87) NR4A2NR4A1NR4A3SRD5A2SMN1; SMN2
SCHEMBL228477 0.80 NR4A2 (1.00) NR4A2NR4A1NR4A3SRD5A2SMN1; SMN2
SCHEMBL4059143 0.80 NR4A2 (1.00) NR4A2NR4A1NR4A3SRD5A2SMN1; SMN2

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-0339987-B1 Liquid crystal compounds having naphthalene nucleus SHOWA SHELL SEKIYU (JP) 1994-06-15 EP disclosed
US-4973738-A Liquid crystal compounds having naphthalene nucleus SHOWA SHELL SEKIYU K.K. (JP) 1990-11-27 US disclosed