SCHEMBL8769060

SCHEMBL8769060

OC(c1ccc(F)cc1)C(c1ccccc1F)n1cncn1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 17/20 0.44
CYP26A1 O43174 1/20 0.37
FAAH O00519 1/20 0.35
MGLL Q99685 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP11B1 P15538 1/20 0.34
TSHR P16473 1/20 0.34
CYP11B2 P19099 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSP90AA1 P07900 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
SCHEMBL11286281 0.78 CYP19A1 (0.45) CYP19A1
SCHEMBL9363800 0.76 CYP19A1 (0.44) CYP19A1CYP26A1FAAHMGLLCYP3A4
SCHEMBL10709465 0.76 CYP19A1 (0.51) CYP19A1CYP26A1FAAHMGLLCYP3A4
SCHEMBL9661033 0.72 CYP19A1 (0.43) CYP19A1CYP26A1CYP3A4TSHRCYP2C19
SCHEMBL9532537 0.71 CYP19A1 (0.47) CYP19A1FAAHMGLLCYP3A4CYP11B1
SCHEMBL11156120 0.70 CYP19A1 (0.46) CYP19A1FAAHMGLLCYP3A4CYP11B1
SCHEMBL6016102 0.70 CYP19A1 (0.49) CYP19A1CYP26A1
SCHEMBL11038306 0.70 CYP19A1 (0.45) CYP19A1
SCHEMBL9368105 0.70 CYP19A1 (0.68) CYP19A1CYP26A1CYP3A4CYP11B1TSHR
SCHEMBL9546959 0.69 CYP19A1 (0.45) CYP19A1FAAHMGLLCYP3A4CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0793564-A1 WOOD PRESERVATIVE BASF AKTIENGESELLSCHAFT (DE) 1997-09-10 EP disclosed
WO-1996015885-A1 WOOD PRESERVATIVE BASF AKTIENGESELLSCHAFT (DE) 1996-05-30 WO disclosed
EP-0326241-A2 Isomerisation process ZENECA LIMITED (GB) 1989-08-02 EP disclosed