SCHEMBL7955018

SCHEMBL7955018

COc1ccc(-c2[c]cccc2C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.43
AR P10275 2/20 0.43
KMT2A Q03164 2/20 0.40
GAA P10253 2/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
MAOB P27338 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 3/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
ACHE P22303 1/20 0.39
KDM4E B2RXH2 2/20 0.37
GLA P06280 1/20 0.37
TP53 P04637 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ACP1 P24666 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36

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
SCHEMBL17514790 0.86 CYP1A1 (0.41) PGRARKMT2AGAACYP11B1
SCHEMBL17536769 0.83 KDM4E (0.44) ARKMT2AMAOBALDH1A1MAPT
SCHEMBL3829054 0.80 KIF11 (0.45) MAOBALDH1A1
SCHEMBL2433532 0.80 NR1H2 (0.35) PGRARKMT2AGAACYP11B2
SCHEMBL1369135 0.79 KIF11 (0.39) GAACYP11B2ALDH1A1LMNAACHE
SCHEMBL6513958 0.78 ACHE (0.35) KMT2AGAAALDH1A1MAPTMEN1
SCHEMBL8125843 0.77 KMT2A (0.40) PGRARKMT2AGAAMAOB
SCHEMBL8089529 0.76 CA12 (0.41) ALDH1A1ACHETP53NPC1RAB9A
SCHEMBL1867724 0.76 ABL1 (0.50) KMT2AMAPTLMNATP53NPC1
SCHEMBL6188780 0.76 CA12 (0.41) KMT2AALDH1A1MAPTMEN1LMNA

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-6313156-B1 FOR THERAPY OF INFLAMMATORY DISEASES AND OTHER DISEASES INVOLVING ELEVATED LEVELS OF CYTOKINES AND PROINFLAMMATORY MEDIATORS ICOS CORPORATION 2001-11-06 US disclosed