SCHEMBL14620263

SCHEMBL14620263

CC1=C2C(=O)OC(c3cccc4ccccc34)=C2C(=O)O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.44
▸ MAOB P27338 1/20 0.44
▸ KDM4E B2RXH2 3/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ ALPL P05186 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ TYMP P19971 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ CYP2A6 P11509 1/20 0.38
▸ ENPP3 O14638 1/20 0.38
▸ ENPP1 P22413 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ HPGD P15428 2/20 0.37
▸ DHFR P00374 1/20 0.36
▸ TYMS P04818 1/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ TDP2 O95551 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ MAPK1 P28482 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
SCHEMBL14620052 0.77 MAOA (0.40) MAOAMAOBKDM4EPTPN1ALPL
SCHEMBL14620264 0.71 PTGS2 (0.43) MAOBKDM4EGAAALDH1A1POLB
SCHEMBL19411258 0.69 KDM4E (0.46) MAOAMAOBKDM4EPTPN1ALPL
SCHEMBL14275465 0.68 ALDH1A1 (0.32) ALDH1A1MAPTNPSR1
Phthalic Anhydride SCHEMBL27885625 0.68 CYP2A6 (0.65) MAOAMAOBKDM4EALDH1A1CYP2A6
SCHEMBL14620261 0.68 PSMB8 (0.38) MAOAGAAALDH1A1BRD4HTT
SCHEMBL19411267 0.68 C1R (0.43) MAOAMAOBKDM4EPTPN1ALPL
SCHEMBL25302086 0.66 ALDH1A1 (0.59) KDM4EPTPN1ALPLGAAALDH1A1
SCHEMBL29350007 0.66 ALDH1A1 (0.59) KDM4EPTPN1ALPLGAAALDH1A1
SCHEMBL27953 0.66 ALDH1A1 (0.59) KDM4EPTPN1ALPLGAAALDH1A1

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-2007003520-A1 FLUORESCENT DIKETOPYRROLOPYRROLES AND DERIVATIVES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2007-01-11 — — WO disclosed
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