SCHEMBL2171656

SCHEMBL2171656

CC(C(N)=O)c1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.49
▸ APP P05067 1/20 0.46
▸ MAOA P21397 1/20 0.46
▸ MAOB P27338 1/20 0.46
▸ PTGS2 P35354 1/20 0.43
▸ FNTA P49354 3/20 0.43
▸ FNTB P49356 3/20 0.43
▸ FFAR1 O14842 1/20 0.43
▸ ADRB2 P07550 1/20 0.42
▸ NPY5R Q15761 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ FFAR2 O15552 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PARP15 Q460N3 1/20 0.41
▸ PARP14 Q460N5 1/20 0.41
▸ PARP10 Q53GL7 1/20 0.41
▸ PARP16 Q8N5Y8 1/20 0.41
▸ PARP11 Q9NR21 1/20 0.41
▸ PARP4 Q9UKK3 1/20 0.41

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
SCHEMBL7794207 0.89 EPHX1 (0.58) EPHX1APPADRB2FFAR2KMT2A
SCHEMBL607802 0.89 EPHX1 (0.58) EPHX1APPADRB2FFAR2KMT2A
SCHEMBL607803 0.89 EPHX1 (0.58) EPHX1APPADRB2FFAR2KMT2A
SCHEMBL2170913 0.85 P2RX4 (0.49) APPFNTAFNTBFFAR1KMT2A
SCHEMBL2169718 0.84 PARP10 (0.58) EPHX1PTGS2KMT2APARP10PARP4
SCHEMBL13235878 0.84 BRD4 (0.50) MAOAMAOBFNTAFNTBFFAR1
SCHEMBL2172240 0.84 EPHX1 (0.50) EPHX1FNTAFNTBPOLBALDH1A1
SCHEMBL2173030 0.84 PARP10 (0.55) EPHX1PTGS2FFAR1NPY5RKMT2A
SCHEMBL5787219 0.84 EPHX1 (0.53) EPHX1APPPTGS2FFAR1ADRB2
SCHEMBL2171467 0.84 FFAR1 (0.57) APPPTGS2FFAR1

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
EP-2349252-A2 SYNERGISTIC COMBINATION OF SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS AND ANTIMICROTUBULE AGENTS Exelixis, Inc. (US) 2011-08-03 — — EP disclosed
EP-2346821-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS Exelixis, Inc. (US) 2011-07-27 — — EP disclosed
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