SCHEMBL8028175

SCHEMBL8028175

CCCCC1CCc2ccc(OC)cc2C1=O

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.61
CYP24A1 Q07973 6/20 0.52
CYP27A1 Q02318 3/20 0.52
METAP1 P53582 1/20 0.51
NQO2 P16083 5/20 0.50
MTNR1A P48039 5/20 0.50
MTNR1B P49286 5/20 0.50
CYP26A1 O43174 2/20 0.49
THRA P10827 1/20 0.49
THRB P10828 1/20 0.49
ACHE P22303 1/20 0.49

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
SCHEMBL4853888 0.90 CYP24A1 (0.65) CYP19A1CYP24A1CYP27A1METAP1CYP26A1
SCHEMBL8028034 0.86 METAP1 (0.64) CYP19A1CYP24A1CYP27A1METAP1THRA
SCHEMBL8434825 0.85 CYP19A1 (0.60) CYP19A1CYP24A1CYP27A1METAP1NQO2
SCHEMBL7228543 0.81 CYP19A1 (0.53) CYP19A1CYP24A1NQO2MTNR1AMTNR1B
SCHEMBL10534693 0.81 CYP19A1 (0.47) CYP19A1CYP24A1CYP27A1THRATHRB
SCHEMBL8034977 0.81 CYP19A1 (0.57) CYP19A1CYP24A1NQO2MTNR1AMTNR1B
SCHEMBL11011369 0.81 METAP1 (0.76) CYP19A1CYP24A1CYP27A1METAP1CYP26A1
SCHEMBL10536475 0.81 CYP19A1 (0.60) CYP19A1THRATHRB
SCHEMBL8599809 0.80 CYP19A1 (0.62) CYP19A1CYP24A1CYP27A1METAP1MTNR1A
Hydrochloric Acid SCHEMBL4623159 0.80 METAP1 (0.78) CYP19A1CYP24A1CYP27A1METAP1CYP26A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110003187-A Polyfluoroalkyl substituted benzofuran compound and preparation method thereof 南京工业大学 2019-07-12 CN disclosed
US-6166031-A Substituted tetralins, chromans and related compounds in the treatment of asthma PFIZER INC, (US) 2000-12-26 US disclosed
EP-0288962-B1 Aryl-aralkyl ethers, processes for their preparation and pharmaceutical composition comprising them FUJISAWA PHARMACEUTICAL CO (JP) 1994-07-13 EP disclosed
US-5061718-A BENZOTHIAZOLYLMETHOXY COMPOUNDS, PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME AND THEIR USE AS ANTI-INFLAMMATORY OR ANTI-ALLERGENIC AGENTS FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1991-10-29 US disclosed
US-5045548-A Lipoxygenase inhibitors FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1991-09-03 US disclosed
US-4965274-A Antiallergen, antiinflammatory agent; lipoxygenase FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1990-10-23 US disclosed
US-4923881-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS Fujisawa Phatmaceutical Co., Ltd. (JP) 1990-05-08 US disclosed
WO-1989003681-A1 SUBSTITUTED TETRALINS, CHROMANS AND RELATED COMPOUNDS IN THE TREATMENT OF ASTHMA PFIZER INC. (US) 1989-05-05 WO disclosed
EP-0313296-A2 Substituted chromans and related compounds in the treatment of asthma PFIZER INC. (US) 1989-04-26 EP disclosed
EP-0288962-A2 Aryl-aralkyl ethers, processes for their preparation and pharmaceutical composition comprising them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-11-02 EP disclosed