SCHEMBL23768340

SCHEMBL23768340

O=C1c2ccc(O)cc2CCCCCCCCSc2cc(O)ccc21

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.55
MAOA P21397 2/20 0.55
PRKCI P41743 1/20 0.55
AKR1B1 P15121 2/20 0.49
MIF P14174 8/20 0.43
CYP26A1 O43174 3/20 0.43
HSD17B1 P14061 2/20 0.43
ESR1 P03372 1/20 0.41
UGT1A1 P22309 1/20 0.41
ESR2 Q92731 1/20 0.41
CYP19A1 P11511 1/20 0.40
MAPK14 Q16539 1/20 0.39
PBRM1 Q86U86 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
SCHEMBL20165295 0.80 MAOA (0.54) MAOBMAOAPRKCIAKR1B1MIF
SCHEMBL2223886 0.76 KDM4E (0.58) MAOBMAOAPRKCIAKR1B1MIF
SCHEMBL3825921 0.76 MAOA (0.92) MAOBMAOAPRKCIAKR1B1MIF
SCHEMBL9119395 0.72 MAOA (0.43) MAOBMAOAPRKCIESR1ESR2
SCHEMBL30917292 0.72 MAOA (0.39) MAOBMAOAPRKCIPBRM1
SCHEMBL7493611 0.72 MAOA (0.39) MAOBMAOAPRKCIPBRM1
SCHEMBL228128 0.72 MAOA (1.00) MAOBMAOAPRKCIAKR1B1MIF
SCHEMBL27323917 0.71 MAOB (0.77) MAOBMAOAPRKCIAKR1B1MIF
SCHEMBL20165279 0.70 VHL (0.51) MAOBMAOAPRKCIHSD17B1ESR1
SCHEMBL2312578 0.69 AKR1B1 (0.58) MAOBMAOAPRKCIAKR1B1MIF

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-20210255191-A1 FLUORESCENT DYE AND USE THEREOF EISAI R&D MANAGEMENT CO., LTD. (JP) 2021-08-19 US disclosed