SCHEMBL8917505

SCHEMBL8917505

COc1ccc2c(c1)CCC(=C(O)C(F)(F)F)C2=O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MIF P14174 5/20 0.50
CYP24A1 Q07973 3/20 0.49
CYP26A1 O43174 4/20 0.48
KDM4E B2RXH2 2/20 0.47
GLA P06280 1/20 0.47
MAPK14 Q16539 5/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
METAP1 P53582 1/20 0.46
CYP19A1 P11511 1/20 0.45
CYP27A1 Q02318 1/20 0.45

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
SCHEMBL8916715 0.81 MIF (0.50) MIFCYP24A1CYP26A1KDM4EGLA
SCHEMBL6793591 0.80 MIF (0.52) MIFCYP24A1CYP26A1KDM4EGLA
SCHEMBL6793599 0.80 MIF (0.52) MIFCYP24A1CYP26A1KDM4EGLA
SCHEMBL8918866 0.76 CES1 (0.55) MIFALDH1A1MAPTCYP19A1
SCHEMBL12046659 0.75 KDM4E (0.50) MIFCYP24A1CYP26A1KDM4EGLA
SCHEMBL17108416 0.73 MPO (0.59) MIFCYP26A1KDM4EGLAALDH1A1
SCHEMBL11684649 0.72 KDM4E (0.57) MIFCYP26A1KDM4EGLAMAPK14
SCHEMBL268592 0.72 KDM4E (0.56) MIFCYP26A1KDM4EGLAALDH1A1
SCHEMBL3759572 0.71 MAPK14 (0.64) MIFCYP24A1CYP26A1KDM4EMAPK14
SCHEMBL7665423 0.71 CYP1A2 (0.48) MIFCYP24A1CYP26A1KDM4EGLA

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-5696143-A ARTHRITIS THERAPY G.D. SEARLE & CO. 1997-12-09 US disclosed
WO-1996009293-A1 BENZ[g]INDAZOLYL DERIVATIVES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-03-28 WO disclosed