SCHEMBL9748985

SCHEMBL9748985

CCOC(=O)CCCCc1ccc2ccccc2c1OCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.54
CYP4A11 Q02928 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
PTGER4 P35408 2/20 0.47
PTGER3 P43115 2/20 0.47
PTGER2 P43116 2/20 0.47
PTGER1 P34995 1/20 0.47
SLC2A1 P11166 1/20 0.47
ALOX5 P09917 1/20 0.46
TNF P01375 1/20 0.45
TOP2A P11388 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
CASP3 P42574 1/20 0.43

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
SCHEMBL9749487 0.86 PTGER1 (0.53) SMN1; SMN2CYP1A2CYP2D6CYP2C19PTGER4
SCHEMBL9749163 0.85 PTGER4 (0.46) SMN1; SMN2CYP1A2CYP2D6CYP2C19PTGER4
SCHEMBL9749099 0.83 TDP1 (0.48) PTGER4PTGER3PTGER2PTGER1SLC2A1
SCHEMBL9614852 0.80 CYP4F2 (0.63) CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP3A4
SCHEMBL7829068 0.79 CYP4F2 (0.61) CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP3A4
SCHEMBL9748801 0.78 LTA4H (0.50) CYP4F2CYP4A11SMN1; SMN2PTGER4PTGER3
SCHEMBL27674003 0.77 CYP4F2 (0.65) CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP3A4
SCHEMBL9749185 0.76 CDC25B (0.48) KDM4ENPC1MAPTRAB9AL3MBTL1
SCHEMBL8890454 0.75 FFAR1 (0.59) ALOX5L3MBTL1LTA4H
SCHEMBL6328999 0.75 ALOX5 (0.69) CYP4F2CYP4A11ALOX5MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0201071-B1 2-SUBSTITUTED-1-NAPHTHOLS AS 5-LIPOXYGENASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-03-04 EP disclosed
US-5026759-A Antiinflammatory agents respiratory system disorders DU PONT MERCK PHARMACEUTICAL (US) 1991-06-25 US disclosed
US-4985442-A ANTIINFLAMMATORY, LUNG DISEASES, PSORIASIS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-01-15 US disclosed
US-4985435-A TREATMENT OF INFLAMMATION, OBSTRUCTIVE LUNG DISEASES AND PSORIASIS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-01-15 US disclosed
US-4906636-A 2-Substituted-1-naphthols as 5-lipoxygenase inhibitors E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-03-06 US disclosed
US-4833164-A ANTIINFLAMMATORY AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-05-23 US disclosed