SCHEMBL11176751

SCHEMBL11176751

Cc1ccc(C(=O)O)cc1S(=O)(=O)N1CCC(C)(C)CC1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.75
CNR2 P34972 4/20 0.57
TP53 P04637 3/20 0.57
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
HTT P42858 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
POLB P06746 1/20 0.55
ATM Q13315 1/20 0.55
THRB P10828 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
CNR1 P21554 1/20 0.53
PKM P14618 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
SCHEMBL4743079 0.86 SMN1; SMN2 (1.00) SMN1; SMN2CNR2TP53NPC1RAB9A
SCHEMBL4719951 0.85 SMN1; SMN2 (0.97) SMN1; SMN2CNR2TP53NPC1RAB9A
SCHEMBL4252422 0.82 SMN1; SMN2 (0.77) SMN1; SMN2CNR2TP53NPC1RAB9A
SCHEMBL11184981 0.74 MEN1 (0.43) SMN1; SMN2TP53
SCHEMBL11888841 0.74 SMN1; SMN2 (0.51) SMN1; SMN2CNR2TP53NPC1RAB9A
SCHEMBL29400012 0.73 TDP1 (0.53) SMN1; SMN2TP53NPC1RAB9AHTT
SCHEMBL22499575 0.73 TDP1 (0.53) SMN1; SMN2TP53NPC1RAB9AHTT
SCHEMBL11888955 0.73 ALDH1A1 (0.58) SMN1; SMN2RAB9AL3MBTL1POLBTDP1
SCHEMBL13532206 0.73 TP53 (0.85) SMN1; SMN2CNR2TP53NPC1RAB9A
SCHEMBL31401017 0.72 SMN1; SMN2 (0.70) SMN1; SMN2CNR2TP53NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4377521-A ANTILIPEMIC PFIZER INC. (US) 1983-03-22 US disclosed
US-4138399-A Sulfamylbenzoic acid PFIZER INC. (US) 1979-02-06 US disclosed
US-4124590-A CARDIOVASCULAR DISORDERS, ANTILIPEMIC AGENTS PFIZER INC. (US) 1978-11-07 US disclosed
US-3992441-A ANTILIPEMIC PFIZER INC. (US) 1976-11-16 US disclosed