SCHEMBL9740389

SCHEMBL9740389

CC(C)(C)c1cc(Cl)cc(C(=O)CO)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
RECQL P46063 1/20 0.41
GLRA3 O75311 1/20 0.41
GLRB P48167 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
HIF1A Q16665 3/20 0.39
TP53 P04637 2/20 0.39
VCAM1 P19320 1/20 0.38
CA2 P00918 2/20 0.38
CA1 P00915 1/20 0.38
CYP1A2 P05177 3/20 0.38
ALDH1A1 P00352 5/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP3A4 P08684 2/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 2/20 0.38
BLM P54132 2/20 0.38

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
SCHEMBL9246935 0.81 AKR1C2 (0.58) GLRA3GLRBSMN1; SMN2CYP2C9CYP2C19
SCHEMBL47579 0.75 CA2 (0.64) LMNARECQLGLRA3GLRBSMN1; SMN2
SCHEMBL4879678 0.74 CA2 (0.50) LMNARECQLGLRA3GLRBSMN1; SMN2
SCHEMBL30855203 0.74 ERN1 (0.46) LMNARECQLALDH1A1MEN1KMT2A
SCHEMBL29334185 0.74 ERN1 (0.46) LMNARECQLALDH1A1MEN1KMT2A
SCHEMBL9740619 0.73 AKR1C2 (0.47) LMNASMN1; SMN2CYP2C19ALDH1A1MEN1
SCHEMBL28836082 0.73 BCL2 (0.47) SMN1; SMN2CYP2C9TP53ALDH1A1MEN1
SCHEMBL9740814 0.72 ALDH1A1 (0.47) LMNARECQLCYP2C9HIF1ACYP1A2
SCHEMBL11722271 0.72 HSPA5 (0.47) LMNAGLRA3GLRBSMN1; SMN2CYP2C9
SCHEMBL1170584 0.72 HSPA5 (0.53) LMNARECQLGLRA3GLRBSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5087638-A Inhibitors of mammalian leukotriene biosynthesis MERCK FROSST CANADA, INC. (CA) 1992-02-11 US disclosed
EP-0338782-A1 Benzofuran derivatives MERCK FROSST CANADA INC. (CA) 1989-10-25 EP disclosed
US-4863958-A TREATING ALLERGIC CONDITIONS, ASTHMA, CARDIOVASCULAR DISORDERS, AND INFLAMMATION MERCK FROSST CANADA, INC. (CA) 1989-09-05 US disclosed