SCHEMBL10396458

SCHEMBL10396458

Cc1cc(OCc2c(Cl)cccc2Cl)ccc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.54
MCL1 Q07820 3/20 0.48
STING1 Q86WV6 1/20 0.47
NR4A2 P43354 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
RXRA P19793 2/20 0.44
RXRB P28702 2/20 0.44
RXRG P48443 2/20 0.44
TP53 P04637 1/20 0.43

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
SCHEMBL10395974 0.91 TP53 (0.54) MRGPRX4ALDH1A1SMN1; SMN2TP53
SCHEMBL10396448 0.85 NR4A2 (0.66) MRGPRX4MCL1NR4A2NPC1RAB9A
Benzene SCHEMBL28056879 0.80 MAOB (0.64) MRGPRX4MCL1NR4A2ALDH1A1SMN1; SMN2
SCHEMBL1022035 0.80 MAOB (0.64) MRGPRX4MCL1NR4A2ALDH1A1SMN1; SMN2
SCHEMBL10397859 0.78 NR4A2 (0.69) MRGPRX4NR4A2ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL9440598 0.78 MAOB (0.62) MRGPRX4MCL1NR4A2ALDH1A1SMN1; SMN2
SCHEMBL30412532 0.77 NR4A2 (0.74) MRGPRX4NR4A2NPC1RAB9ANR1H4
SCHEMBL978508 0.77 NR4A2 (0.74) MRGPRX4NR4A2NPC1RAB9ANR1H4
SCHEMBL10397866 0.76 POLB (0.53) MRGPRX4MCL1NR4A2RAB9AALDH1A1
SCHEMBL686832 0.76 KDM4E (0.57) MCL1NPC1RAB9AALDH1A1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4910206-A Endotoxin induced lung injury SANDOZ PHARMACEUTICALS CORP. (US) 1990-03-20 US disclosed