SCHEMBL8028034

SCHEMBL8028034

CCCCC1Cc2ccc(OC)cc2C1=O

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 3/20 0.64
ACHE P22303 1/20 0.58
CYP19A1 P11511 2/20 0.48
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
CYP27A1 Q02318 1/20 0.43
CYP24A1 Q07973 1/20 0.43

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
SCHEMBL2424817 0.89 METAP1 (0.65) METAP1ACHECYP19A1THRATHRB
SCHEMBL8028175 0.86 CYP19A1 (0.61) METAP1ACHECYP19A1THRATHRB
SCHEMBL3843643 0.85 METAP1 (0.70) METAP1ACHECYP19A1CYP27A1CYP24A1
SCHEMBL29130764 0.85 METAP1 (0.64) METAP1CYP19A1THRATHRBCYP27A1
SCHEMBL8874279 0.81 METAP1 (0.61) METAP1ACHECYP19A1CYP24A1
SCHEMBL29130805 0.80 METAP1 (0.68) METAP1ACHECYP19A1THRATHRB
SCHEMBL8030964 0.80 MEN1 (0.44) METAP1ACHECYP19A1THRATHRB
SCHEMBL30715899 0.80 METAP1 (0.68) METAP1ACHECYP19A1THRATHRB
SCHEMBL27347569 0.80 ACHE (0.56) METAP1ACHETHRATHRB
SCHEMBL8874562 0.79 METAP1 (0.69) METAP1ACHECYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6166031-A Substituted tetralins, chromans and related compounds in the treatment of asthma PFIZER INC, (US) 2000-12-26 US disclosed
WO-1989003681-A1 SUBSTITUTED TETRALINS, CHROMANS AND RELATED COMPOUNDS IN THE TREATMENT OF ASTHMA PFIZER INC. (US) 1989-05-05 WO disclosed