SCHEMBL9750199

SCHEMBL9750199

CCOC(=O)c1cc(Cc2ccccc2)c(O)c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.56
PDE3A Q14432 3/20 0.56
SMN1; SMN2 Q16637 1/20 0.50
TSHR P16473 1/20 0.49
GABRA1 P14867 1/20 0.48
GABRB1 P18505 1/20 0.48
GABRA3 P34903 1/20 0.48
GABRB2 P47870 1/20 0.48
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL27948910 0.89 HMGB1 (0.56) PDE3BPDE3ASMN1; SMN2TSHRGABRA1
SCHEMBL9749183 0.81 BCL2 (0.54) KDM4E
SCHEMBL9748865 0.81 PTPN1 (0.64) TSHR
SCHEMBL10792105 0.79 TSHR (0.57) PDE3BPDE3ASMN1; SMN2TSHR
SCHEMBL9749162 0.79 PTPN1 (0.53) TSHR
SCHEMBL9750299 0.79 PTPN1 (0.53) TSHR
SCHEMBL3642333 0.78 TSHR (0.65) PDE3BPDE3ASMN1; SMN2TSHRGABRA1
SCHEMBL19737311 0.77 ALDH1A1 (0.59) SMN1; SMN2TSHRKDM4E
SCHEMBL29246749 0.77 KDM4E (0.57) TSHRKDM4E
Bicarbonate SCHEMBL27544354 0.77 TSHR (0.62) PDE3BPDE3ASMN1; SMN2TSHRGABRA1

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