SCHEMBL4644518

SCHEMBL4644518

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
ALDH1A1 P00352 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MAPK1 P28482 1/20 0.49
PAM P19021 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
CES1 P23141 2/20 0.44
CES2 O00748 1/20 0.44
AKR1B1 P15121 1/20 0.44
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
CYP19A1 P11511 1/20 0.39
MEN1 O00255 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 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
SCHEMBL4641514 0.87 TSHR (0.47) TSHRALDH1A1L3MBTL1MAPK1PAM
SCHEMBL4647334 0.85 KMT2A (0.48) ALDH1A1MAPK1SMN1; SMN2KMT2AKDM4E
SCHEMBL4644794 0.83 POLB (0.48) TSHRALDH1A1L3MBTL1KMT2A
SCHEMBL4642096 0.83 TDP1 (0.54) ALDH1A1L3MBTL1KMT2AKDM4EHDAC8
SCHEMBL4641553 0.82 TSHR (0.53) TSHRALDH1A1L3MBTL1MAPK1PAM
SCHEMBL4644873 0.82 KMT2A (0.55) ALDH1A1L3MBTL1SMN1; SMN2KMT2ALMNA
SCHEMBL4646684 0.81 MAPT (0.44) TSHRALDH1A1L3MBTL1MAPK1SMN1; SMN2
SCHEMBL27139938 0.80 TSHR (0.58) TSHRALDH1A1L3MBTL1MAPK1PAM
SCHEMBL8843833 0.79 TSHR (0.50) TSHRALDH1A1L3MBTL1MAPK1PAM
SCHEMBL248113 0.79 ALDH1A1 (0.65) TSHRALDH1A1L3MBTL1MAPK1PAM

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