SCHEMBL7972602

SCHEMBL7972602

Cc1ccc(C2(c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)OC(=O)C(O)=C2O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.39
MAPT P10636 1/20 0.36
CYP1A1 P04798 1/20 0.35
CYP1B1 Q16678 1/20 0.35
PTPN5 P54829 1/20 0.35
AR P10275 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
NOTUM Q6P988 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
BACE1 P56817 1/20 0.34
PTPN1 P18031 1/20 0.34
KDM1A O60341 1/20 0.34
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34

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
SCHEMBL7968717 0.89 KIF11 (0.46) KIF11MAPTCYP1A1CYP1B1PTPN5
SCHEMBL6026268 0.85 CFTR (0.39) MAPTALDH1A1POLBHSD17B10CCNC
SCHEMBL7539856 0.83 ABCG2 (0.37) KIF11MAPTPOLBPTPN1
SCHEMBL7968670 0.80 KIF11 (0.42) KIF11ARNOTUMKDM4EALDH1A1
SCHEMBL7956413 0.73 CFTR (0.39) MAPTALDH1A1CYP2C19HSD17B10
SCHEMBL6026628 0.73 MEN1 (0.37) ARNOTUMALDH1A1CYP1A2POLB
SCHEMBL6026391 0.72 MCL1 (0.42) MAPTNOTUMALDH1A1POLBHSD17B10
SCHEMBL6027688 0.71 CYP3A4 (0.40) MAPTALDH1A1HSD17B10PTPN1
SCHEMBL1044865 0.71 KIF11 (0.61) KIF11CYP1A1CYP1B1ARMAOB
SCHEMBL13019482 0.71 KIF11 (0.61) KIF11CYP1A1CYP1B1ARMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6265436-B1 ANTIINFLAMMATORY AGENTS OXIS THERAPEUTICS INC. 2001-07-24 US disclosed