SCHEMBL11146014

SCHEMBL11146014

CCOC(=O)CCc1cc(Br)c(N)c(Br)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.53
CYP4A11 Q02928 2/20 0.53
CYP4Z1 Q86W10 1/20 0.43
CYP1A2 P05177 1/20 0.41
THRA P10827 5/20 0.40
THRB P10828 5/20 0.40
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
P2RY12 Q9H244 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
STING1 Q86WV6 2/20 0.39
TNF P01375 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL16049214 0.85 CYP4F2 (0.54) CYP4F2CYP4A11CYP4Z1THRATHRB
SCHEMBL11135335 0.83 KDM4E (0.41) THRATHRBMEN1KMT2A
SCHEMBL11147975 0.83 THRB (0.46) CYP4Z1THRATHRB
SCHEMBL2131630 0.81 CYP4F2 (0.57) CYP4F2CYP4A11CYP4Z1CYP1A2PDE3B
SCHEMBL11145355 0.81 THRA (0.40) CYP4F2CYP4A11THRATHRBMEN1
SCHEMBL15464230 0.80 CYP4F2 (0.56) CYP4F2CYP4A11CYP4Z1CYP1A2PDE3B
SCHEMBL7953719 0.79 ALDH1A1 (0.48) CYP4F2CYP4A11CYP4Z1THRATHRB
SCHEMBL3746070 0.78 CYP4F2 (0.58) CYP4F2CYP4A11CYP4Z1THRATHRB
SCHEMBL3681959 0.78 ALOX5 (0.55) CYP4F2CYP4A11MEN1KMT2ASTING1
SCHEMBL29024345 0.78 CYP4F2 (0.61) CYP4F2CYP4A11CYP4Z1CYP1A2PDE3B

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-4379819-A OIL SOLUBLE MONOAZO DYE CIBA-GEIGY AG (CH) 1983-04-12 US disclosed