SCHEMBL9165341

SCHEMBL9165341

CCCCCCCCCCCCCCOc1ccc(CC(=O)Nc2cccc(C(=O)OCC)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.64
MEN1 O00255 2/20 0.64
POLB P06746 2/20 0.64
SMN1; SMN2 Q16637 3/20 0.62
CYP1A2 P05177 3/20 0.62
CYP2C9 P11712 3/20 0.62
CYP2C19 P33261 3/20 0.62
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
HPGD P15428 1/20 0.62
MDH1 P40925 2/20 0.59
MAPT P10636 4/20 0.58
NR1H4 Q96RI1 4/20 0.57
NLRP3 Q96P20 1/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2D6 P10635 2/20 0.56
ALDH1A1 P00352 3/20 0.56
TSHR P16473 1/20 0.56
LMNA P02545 2/20 0.54
MAPK1 P28482 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
SCHEMBL27348142 0.84 RAB9A (0.55) KMT2AMEN1POLBSMN1; SMN2CYP1A2
SCHEMBL9163700 0.83 NLRP3 (0.58) SMN1; SMN2CYP1A2NPC1RAB9AHPGD
SCHEMBL9163716 0.83 NLRP3 (0.58) SMN1; SMN2CYP1A2MDH1NR1H4NLRP3
SCHEMBL9159927 0.82 NLRP3 (0.57) SMN1; SMN2CYP1A2NPC1RAB9AHPGD
SCHEMBL5089008 0.78 MAPT (0.71) KMT2AMEN1POLBSMN1; SMN2CYP1A2
SCHEMBL22438949 0.78 SMPD1 (0.67) KMT2AMEN1POLBSMN1; SMN2CYP1A2
SCHEMBL15766601 0.78 SMPD1 (0.67) KMT2AMEN1POLBSMN1; SMN2CYP1A2
SCHEMBL15766529 0.78 SMPD1 (0.67) KMT2AMEN1POLBSMN1; SMN2CYP1A2
Bromide SCHEMBL9168190 0.78 NLRP3 (0.50) SMN1; SMN2CYP1A2NPC1RAB9AHPGD
SCHEMBL4111408 0.78 NPC1 (0.84) KMT2AMEN1POLBSMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5432189-A Bis-aryl amide and urea antagonists of platelet activating factor AMERICAN CYANAMID COMPANY (US) 1995-07-11 US disclosed
US-5350759-A Bis-aryl urea compounds WISSNER ALLAN (US) 1994-09-27 US disclosed
US-5231182-A Platelet activating factor inhibitor AMERICAN CYANAMID COMPANY (US) 1993-07-27 US disclosed
US-5225425-A Respiratory system disorders AMERICAN CYANAMID COMPANY (US) 1993-07-06 US disclosed
US-5128351-A BIS-ARYL AMIDE AND UREA ANTAGONISTS OF PLATELET ACTIVATING FACTOR AMERICAN CYANAMID COMPANY (US) 1992-07-07 US disclosed
US-5077409-A Reducing hydroxy bis-aryl amide, acylating, hydrolyzing, sulfonating, halogenating, alkylating with nitrogen heterocycle AMERICAN CYANAMID COMPANY (US) 1991-12-31 US disclosed
EP-0458037-A1 Bis-aryl amide and urea antagonists of platelet activating factor AMERICAN CYANAMID COMPANY (US) 1991-11-27 EP disclosed