SCHEMBL4642099

SCHEMBL4642099

CC(=O)OC(=O)CC[CH]Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
TOP1 P11387 1/20 0.41
TRPV1 Q8NER1 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
AKT1 P31749 1/20 0.38
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.37
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAOB P27338 1/20 0.35
KEAP1 Q14145 1/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GPR52 Q9Y2T5 1/20 0.35
PRSS1 P07477 1/20 0.35
CTSG P08311 1/20 0.35
CTRB1 P17538 1/20 0.35
CMA1 P23946 1/20 0.35
CYP2C19 P33261 1/20 0.34

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
SCHEMBL4643655 0.91 TOP1 (0.45) ALDH1A1TOP1TRPV1TDP1KMT2A
SCHEMBL4642129 0.83 ALDH1A1 (0.46) ALDH1A1TOP1TDP1KMT2ATSHR
SCHEMBL466545 0.78 TDP1 (0.63) ALDH1A1TRPV1TDP1KMT2AKDM4E
SCHEMBL8594687 0.77 TOP1 (0.58) ALDH1A1TOP1MAOBKEAP1MAPK1
SCHEMBL6279310 0.76 TDP1 (0.61) ALDH1A1TRPV1TDP1KMT2AKDM4E
SCHEMBL27384314 0.75 MAOB (0.50) ALDH1A1TOP1TDP1KMT2ATSHR
SCHEMBL28092341 0.75 HDAC1 (0.58) ALDH1A1TDP1KMT2AKEAP1MAPK1
SCHEMBL3154424 0.74 PAM (0.47) ALDH1A1TDP1AKT1LMNAMAOB
SCHEMBL8861535 0.73 NPC1 (0.47) ALDH1A1TOP1KMT2AMAOBKEAP1
SCHEMBL248114 0.73 TSHR (0.58) ALDH1A1KMT2ATSHRLMNAKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487928-B1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2008-08-13 EP disclosed
EP-1487928-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT Jotun AS (NO) 2004-12-22 EP disclosed
WO-2003080747-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2003-10-02 WO disclosed