SCHEMBL9749544

SCHEMBL9749544

Oc1c(CC2CCCCC2)ccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.53
HIF1A Q16665 2/20 0.53
PKM P14618 1/20 0.53
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PTPN22 Q9Y2R2 1/20 0.44

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
SCHEMBL3247871 0.79 ATM (0.58) ALDH1A1MAPTKMT2ACYP1A2CYP2D6
SCHEMBL20676749 0.78 FEN1 (0.44) ALDH1A1
SCHEMBL28926014 0.77 CYP2D6 (0.58) GAAALDH1A1MAPTKMT2ACYP1A2
SCHEMBL9420976 0.77 GAA (0.53) GAAHIF1APKMALDH1A1KDM4E
SCHEMBL9749199 0.76 HPGD (0.42) HIF1AALDH1A1KDM4EMAPTCYP1A2
SCHEMBL6361813 0.76 GABRA1 (0.43) ALDH1A1
SCHEMBL3459753 0.75 GAA (0.49) GAAHIF1APKMALDH1A1KDM4E
SCHEMBL6010301 0.74
SCHEMBL130289 0.74 PTPN22 (0.58) PTPN22
SCHEMBL29354413 0.74

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