SCHEMBL8534645

SCHEMBL8534645

O=C(O)CCC(=O)c1ccc(-c2ccsc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.64
FFAR1 O14842 1/20 0.64
LMNA P02545 1/20 0.64
CYP1A2 P05177 1/20 0.64
RAB9A P51151 1/20 0.64
HIF1A Q16665 1/20 0.64
MMP2 P08253 2/20 0.52
MMP9 P14780 1/20 0.52
MMP8 P22894 1/20 0.52
NR4A2 P43354 1/20 0.52
KMT2A Q03164 1/20 0.51
USP5 P45974 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
CYP2C19 P33261 1/20 0.47
CHEK2 O96017 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
CYP2E1 P05181 1/20 0.46
CYP2A6 P11509 1/20 0.46
CYP2B6 P20813 1/20 0.46

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
SCHEMBL3381919 0.89 HDAC1 (0.56) SMN1; SMN2FFAR1LMNACYP1A2RAB9A
SCHEMBL10884944 0.84 SMN1; SMN2 (0.88) SMN1; SMN2FFAR1LMNACYP1A2RAB9A
SCHEMBL8537176 0.83 MMP2 (0.52) SMN1; SMN2FFAR1LMNACYP1A2RAB9A
SCHEMBL6832508 0.80 LCK (0.57) SMN1; SMN2FFAR1LMNACYP1A2RAB9A
SCHEMBL12670300 0.79 SMN1; SMN2 (0.59) SMN1; SMN2MMP2MMP9MMP8CHEK2
SCHEMBL203627 0.78 LCK (0.59) MMP2MMP9MMP8CHEK2CYP2E1
Fenbufen SCHEMBL11329267 0.78 SMN1; SMN2 (1.00) SMN1; SMN2FFAR1LMNACYP1A2RAB9A
Fenbufen SCHEMBL25117 0.78 SMN1; SMN2 (1.00) SMN1; SMN2FFAR1LMNACYP1A2RAB9A
SCHEMBL5696420 0.78 FFAR1 (0.62) FFAR1CYP2E1CYP2A6CYP2B6ACMSD
SCHEMBL10353454 0.78 NR4A2 (0.81) SMN1; SMN2FFAR1LMNACYP1A2RAB9A

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
CN-1216522-A Therapeutic agent for diabetes JAPAN TOBACCO INC (JP) 1999-05-12 CN disclosed
EP-0885869-A1 THERAPEUTIC AGENT FOR DIABETES Japan Tobacco Inc. (JP) 1998-12-23 EP disclosed