SCHEMBL9739756

SCHEMBL9739756

CCCc1cc(F)c(O)c(C(C)=O)c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.56
PTPN1 P18031 4/20 0.40
PTPN11 Q06124 3/20 0.40
CA12 O43570 1/20 0.38
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
XBP1 P17861 1/20 0.36
HIF1A Q16665 1/20 0.36
HMGCR P04035 2/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
ALOX5 P09917 2/20 0.34
POLB P06746 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
LDHA P00338 1/20 0.33
LDHB P07195 1/20 0.33
PTPN2 P17706 1/20 0.33
GABRA1 P14867 1/20 0.32

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
SCHEMBL9740799 0.87 PRKCI (0.65) PRKCIPTPN1PTPN11CA12HMGCR
SCHEMBL9739521 0.79 PRKCI (0.56) PRKCIPTPN1PTPN11CA12HIF1A
SCHEMBL10502725 0.75 PRKCI (0.42) PRKCIHMGCRMEN1KMT2AHPGD
SCHEMBL9742195 0.75 PRKCI (0.39) PRKCIHMGCRMEN1KMT2AHPGD
SCHEMBL11116296 0.73 PRKCI (0.50) PRKCICA12MAPTMEN1KMT2A
SCHEMBL9740854 0.72 PRKCI (0.51) PRKCIPTPN1PTPN11CA12MEN1
SCHEMBL9739635 0.72 PRKCI (0.41) PRKCIPTPN1PTPN11CA12LMNA
SCHEMBL15107550 0.72 HMGCR (0.46) PRKCIPTPN1PTPN11LMNAMAPT
SCHEMBL9739914 0.71 PRKCI (1.00) PRKCIPTPN1PTPN11CA12
Hydrochloric Acid SCHEMBL8154209 0.71 PTPN1 (0.46) PRKCIPTPN1PTPN11LMNAMAPT

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 8 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
EP-0165810-B1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES, THEIR USE IN INHIBITING MAMMALIAN LEUKOTRIENE BIOSYNTHESIS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE DERIVATIVES MERCK FROSST CANADA INC. (CA) 1989-08-23 EP disclosed
EP-0200443-B1 LIPOXYGENASE INHIBITORS MERCK FROSST CANADA INC. (CA) 1989-03-01 EP disclosed
US-4663347-A ANTIINFLAMMATORY, ANTIALLERGENS, CARDIOVASCULAR MERCK FROSST CANADA, INC. (CA) 1987-05-05 US disclosed
EP-0200443-A1 Lipoxygenase inhibitors MERCK FROSST CANADA INC. (CA) 1986-11-05 EP disclosed
EP-0165810-A2 Benzofuran and benzothiophene derivatives, their use in inhibiting mammalian leukotriene biosynthesis, and pharmaceutical compositions containing these derivatives MERCK FROSST CANADA INC. (CA) 1985-12-27 EP disclosed