SCHEMBL14038003

SCHEMBL14038003

Cc1ccc(/C=C/c2ccc(/C=C/c3ccc(O)cc3)cc2C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.59
PTGS2 P35354 4/20 0.59
ALOX5 P09917 3/20 0.59
NPC1 O15118 2/20 0.56
MTOR P42345 2/20 0.56
APP P05067 5/20 0.56
MAPT P10636 4/20 0.56
NFE2L2 Q16236 3/20 0.49
NQO2 P16083 2/20 0.48
LCK P06239 1/20 0.48
MAOB P27338 3/20 0.47
POLB P06746 2/20 0.47
MAOA P21397 2/20 0.47
RAB9A P51151 2/20 0.47
PTPN1 P18031 1/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA3 P07451 2/20 0.47
CA4 P22748 2/20 0.47

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
SCHEMBL13170734 0.94 NPC1 (0.61) PTGS1PTGS2ALOX5NPC1MTOR
SCHEMBL5679409 0.87 NPC1 (0.56) PTGS1PTGS2ALOX5NPC1MTOR
SCHEMBL12796879 0.87 NPC1 (0.56) PTGS1PTGS2ALOX5NPC1MTOR
SCHEMBL25607235 0.83 NPC1 (0.83) PTGS1PTGS2ALOX5NPC1MTOR
SCHEMBL15604178 0.83 NPC1 (0.83) PTGS1PTGS2ALOX5NPC1MTOR
SCHEMBL14038080 0.82 ACHE (0.68) PTGS1PTGS2ALOX5NPC1MTOR
SCHEMBL9571496 0.82 ACHE (0.68) PTGS1PTGS2ALOX5NPC1MTOR
SCHEMBL11932608 0.82 ACHE (0.68) PTGS1PTGS2ALOX5NPC1MTOR
SCHEMBL1824534 0.81 BACE1 (0.53) PTGS1ALOX5NPC1MTORAPP
SCHEMBL1824537 0.81 BACE1 (0.53) PTGS1ALOX5NPC1MTORAPP

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
WO-2008144065-A1 OPHTHALMIC FORMULATIONS OF AMYLOID- CONTRAST AGENTS AND METHODS OF USE THEREOF NEUROPTIX CORPORATION (US) 2008-11-27 WO disclosed