SCHEMBL11215372

SCHEMBL11215372

CCCOc1ccc(/C=C/C(=O)Oc2ccc(F)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.58
ABCG2 Q9UNQ0 2/20 0.56
CYP1A1 P04798 1/20 0.55
CYP1B1 Q16678 1/20 0.55
FAAH O00519 4/20 0.55
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
POLB P06746 1/20 0.49
NPSR1 Q6W5P4 2/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL11215369 1.00 MAOB (0.58) MAOBABCG2CYP1A1CYP1B1FAAH
SCHEMBL11219001 0.91 FAAH (0.57) MAOBABCG2FAAHMEN1KMT2A
SCHEMBL11219002 0.91 FAAH (0.57) MAOBABCG2FAAHMEN1KMT2A
SCHEMBL28536397 0.85 HSD11B1 (0.62) MAOBMEN1KMT2APOLBLMNA
SCHEMBL19244469 0.82 ABCG2 (0.62) MAOBABCG2CYP1A1CYP1B1NPC1
SCHEMBL19244225 0.82 APP (0.62) ABCG2CYP1A1CYP1B1NPC1RAB9A
SCHEMBL15969787 0.82 KMT2A (0.60) ABCG2FAAHNPC1RAB9AKMT2A
SCHEMBL9478186 0.82 MEN1 (0.71) MAOBABCG2CYP1A1CYP1B1NPC1
SCHEMBL9478189 0.82 MEN1 (0.71) MAOBABCG2CYP1A1CYP1B1NPC1
SCHEMBL19244313 0.81 CA12 (0.65) MAOBABCG2CYP1A1CYP1B1NPC1

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
JP-57081440-A None JP disclosed
JP-S5781440-A 4-FLUOROPHENOL CINNAMIC ACID ESTER DERIVATIVE CHISSO CORP 1982-05-21 JP disclosed