SCHEMBL7777934

SCHEMBL7777934

COC(=O)c1ccc(CCc2ccc(Nc3ccccc3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.60
CA2 P00918 2/20 0.60
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
POLB P06746 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
RAB9A P51151 4/20 0.57
NPC1 O15118 2/20 0.57
MAPT P10636 3/20 0.57
LMNA P02545 2/20 0.57
CYP4A11 Q02928 2/20 0.57
TSHR P16473 1/20 0.56
ALDH1A1 P00352 2/20 0.56
CYP4F2 P78329 1/20 0.55
HPGD P15428 1/20 0.55
AGTR1 P30556 1/20 0.55
MGLL Q99685 1/20 0.55
LOXL2 Q9Y4K0 1/20 0.53
SIRT2 Q8IXJ6 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
SCHEMBL71303 0.90 TSHR (0.69) CA1CA2MEN1KMT2ASMN1; SMN2
SCHEMBL1928912 0.88 TSHR (0.67) CA1CA2SMN1; SMN2L3MBTL1RAB9A
SCHEMBL7777930 0.86 MAPT (0.52) CA1CA2MEN1KMT2ASMN1; SMN2
SCHEMBL70185 0.84 CYP4A11 (0.75) CA1CA2MEN1KMT2ASMN1; SMN2
SCHEMBL20236446 0.83 CA1 (0.63) CA1CA2MEN1KMT2ASMN1; SMN2
SCHEMBL1505883 0.82 MEN1 (0.64) CA1CA2MEN1KMT2ASMN1; SMN2
SCHEMBL8162236 0.82 ALDH1A1 (0.60) CA1CA2L3MBTL1RAB9ANPC1
SCHEMBL28267712 0.81 CYP4A11 (0.65) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL7776449 0.81 MAPT (0.64) CA1CA2MEN1KMT2ASMN1; SMN2
SCHEMBL9876429 0.81 TSHR (0.61) CA1CA2SMN1; SMN2L3MBTL1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0809622-B1 ANTI-INFLAMMATORY BENZOIC ACID DERIVATIVES SCIOS INC (US) 2001-08-29 EP disclosed
EP-0809622-A4 ANTI-INFLAMMATORY BENZOIC ACID DERIVATIVES SCIOS NOVA INC (US) 1998-07-08 EP disclosed
EP-0809622-A1 ANTI-INFLAMMATORY BENZOIC ACID DERIVATIVES SCIOS NOVA INC. (US) 1997-12-03 EP disclosed
WO-1996025383-A1 ANTI-INFLAMMATORY BENZOIC ACID DERIVATIVES SCIOS NOVA INC. (US) 1996-08-22 WO disclosed
US-5530157-A NON-STEROID ANTIINFLAMMATORY DRUG SCIOS NOVA INC. (US) 1996-06-25 US disclosed