SCHEMBL9749487

SCHEMBL9749487

O=C(O)CCCCc1ccc2ccccc2c1OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 3/20 0.53
PTGER4 P35408 3/20 0.53
PTGER3 P43115 3/20 0.53
PTGER2 P43116 3/20 0.53
CYP1A2 P05177 2/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
MAPT P10636 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HDAC3 O15379 1/20 0.46
MAPK1 P28482 1/20 0.46
ADRA1A P35348 1/20 0.46
HDAC4 P56524 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HDAC1 Q13547 1/20 0.46
SMN1; SMN2 Q16637 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
SCHEMBL9749163 0.91 PTGER4 (0.46) PTGER1PTGER4PTGER3PTGER2CYP1A2
SCHEMBL9748985 0.86 CYP4F2 (0.54) PTGER1PTGER4PTGER3PTGER2CYP1A2
SCHEMBL9748801 0.84 LTA4H (0.50) PTGER1PTGER4PTGER3PTGER2MAPT
SCHEMBL5113606 0.82 TDP1 (0.53) PTGER1PTGER4PTGER3PTGER2MAPT
SCHEMBL10916971 0.82 CYP1A2 (0.44) PTGER1PTGER4PTGER3PTGER2CYP1A2
SCHEMBL9375103 0.80 CYP1A2 (0.55) CYP1A2CYP2D6CYP2C19MAPTMEN1
SCHEMBL6627314 0.79 NPC1 (0.48) CYP1A2CYP2C19MAPTSLC6A3SMN1; SMN2
SCHEMBL9749099 0.78 TDP1 (0.48) PTGER1PTGER4PTGER3PTGER2MEN1
SCHEMBL9749184 0.76 CYP1A2 (0.57) CYP1A2CYP2D6CYP2C19MAPTRXFP1
SCHEMBL6626649 0.74 MEN1 (0.42) CYP1A2CYP2C19MAPTMEN1KMT2A

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 7 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
EP-0201071-A2 2-Substituted-1-naphthols as 5-lipoxygenase inhibitors THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1986-11-12 EP disclosed