SCHEMBL9749162

SCHEMBL9749162

O=C(c1ccccc1)c1cc(Cc2ccccc2)c(O)c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.53
PTPN2 P17706 1/20 0.53
PTPN6 P29350 1/20 0.53
HMGB1 P09429 1/20 0.51
CXCL12 P48061 1/20 0.51
BCL2 P10415 1/20 0.50
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
ALOX12 P18054 1/20 0.47
ATIC P31939 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL9748865 0.87 PTPN1 (0.64) PTPN1PTPN2PTPN6HMGB1CXCL12
SCHEMBL9749183 0.84 BCL2 (0.54) PTPN1PTPN2PTPN6HMGB1CXCL12
SCHEMBL9750299 0.84 PTPN1 (0.53) PTPN1PTPN2PTPN6HMGB1CXCL12
SCHEMBL9748744 0.82 LMNA (0.48) PTPN1PTPN2PTPN6HMGB1CXCL12
SCHEMBL9750199 0.79 PDE3B (0.56) TSHR
SCHEMBL6742045 0.78 THRB (0.55) HMGB1CXCL12BCL2CYP2C9HPGD
SCHEMBL9618995 0.78 HMGB1 (0.84) PTPN1PTPN2PTPN6HMGB1CXCL12
SCHEMBL8772360 0.76 HMGB1 (0.56) PTPN1PTPN2PTPN6HMGB1CXCL12
SCHEMBL11070082 0.76 BCL2 (0.64) BCL2
SCHEMBL5698161 0.75 BCL2 (0.58) PTPN1PTPN2PTPN6HMGB1CXCL12

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