SCHEMBL9748792

SCHEMBL9748792

Oc1c(C2C=CCCC2)ccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
KDM4E B2RXH2 1/20 0.41
ALOX12 P18054 1/20 0.41
PTPN22 Q9Y2R2 1/20 0.41
ALDH1A1 P00352 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LDHA P00338 1/20 0.36
CYP1A2 P05177 2/20 0.35
HIF1A Q16665 2/20 0.34
MPI P34949 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL6758128 0.91 PTPN22 (0.43) MAPTKDM4EALOX12PTPN22ALDH1A1
SCHEMBL5404231 0.84 KDM1A (0.43) MAPTALDH1A1NPSR1CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL6384484 0.84 KDM1A (0.35) MAPTKDM4EALDH1A1HSD17B10GAA
SCHEMBL16398217 0.80 KDM1A (0.42) MAPTALDH1A1NPSR1CYP2C9CYP2C19
SCHEMBL16398218 0.80 KDM1A (0.42) MAPTALDH1A1NPSR1CYP2C9CYP2C19
SCHEMBL17747353 0.78 KDM1A (0.41) MAPTKDM4EALDH1A1NPSR1HSD17B10
SCHEMBL17747355 0.78 KDM1A (0.41) MAPTKDM4EALDH1A1NPSR1HSD17B10
SCHEMBL17747357 0.78 KDM1A (0.41) MAPTKDM4EALDH1A1NPSR1HSD17B10
SCHEMBL11003369 0.74 PTPN22 (0.48) MAPTKDM4EALOX12PTPN22ALDH1A1
SCHEMBL30631565 0.74 MEN1 (0.43) MAPTKDM4EALOX12ALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101624332-B Novel compound with antitumor activity and application thereof GUANZHOU INST OF BIOMEDICINE AND HEALTH CHINESE ACADEMY OF SCIENCE 2012-11-21 CN claimed
CN-101624332-A Novel compound with antitumor activity and application thereof GUANZHOU INST OF BIOMEDICINE A 2010-01-13 CN claimed
CN-101624332-B Novel compound with antitumor activity and application thereof GUANZHOU INST OF BIOMEDICINE AND HEALTH CHINESE ACADEMY OF SCIENCE 2012-11-21 CN disclosed
CN-101624332-A Novel compound with antitumor activity and application thereof GUANZHOU INST OF BIOMEDICINE A 2010-01-13 CN disclosed
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