SCHEMBL9750220

SCHEMBL9750220

COc1c(Cc2ccccc2)cc(C(=O)c2cccs2)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
ALOX15 P16050 1/20 0.44
HPGD P15428 4/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
HPGDS O60760 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
CTNNB1 P35222 1/20 0.40
WNT3A P56704 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL9748744 0.83 LMNA (0.48) LMNAALOX15TSHRRXFP1HPGDS
SCHEMBL9748849 0.81 PTPN1 (0.47) CNR1CNR2
SCHEMBL9749291 0.79 CNR2 (0.43) ALDH1A1CNR1CNR2
SCHEMBL9750247 0.72 SLC6A2 (0.38) LMNAALOX15MAPTTSHRCNR2
SCHEMBL9515371 0.69 MAPT (0.44) LMNAHPGDMAPTTSHRALDH1A1
SCHEMBL9749512 0.69 SLC2A1 (0.43) LMNAMAPTKMT2AALDH1A1CNR1
SCHEMBL9749737 0.69 GPR55 (0.47) SMN1; SMN2ALDH1A1CNR2
SCHEMBL9749576 0.69 CNR2 (0.44) SMN1; SMN2ALDH1A1CNR1CNR2
SCHEMBL28123212 0.68 PTPN1 (0.47) TSHRALDH1A1CNR1CNR2
SCHEMBL10439859 0.68 ALDH1A1 (0.40) LMNAALOX15HPGDMAPTMEN1

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