SCHEMBL25227656

SCHEMBL25227656

C=C(Cc1ccc(CC#N)cc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
CTBP2 P56545 2/20 0.40
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
NPC1 O15118 2/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
MAPT P10636 1/20 0.37
FFAR1 O14842 2/20 0.36
CA2 P00918 1/20 0.35
CAMK2A Q9UQM7 1/20 0.35
THRB P10828 1/20 0.35
RAB9A P51151 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
ABCC4 O15439 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
PTGS1 P23219 1/20 0.33

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
SCHEMBL3426193 0.84 CA2 (0.46) CTBP2LMNAHTTCA2CAMK2A
SCHEMBL4579428 0.81 CTBP2 (0.60) CTBP2RXRARXRGHTTMAPT
SCHEMBL3978022 0.80 CA2 (0.56) KMT2ARXRARXRBRXRGLMNA
SCHEMBL2732935 0.78 LMNA (0.54) KMT2ARXRARXRBRXRGLMNA
SCHEMBL83884 0.76 CA2 (0.61) CTBP2NPC1LMNACA2CAMK2A
SCHEMBL41907 0.76 CES1 (0.58) KMT2ACTBP2LMNAHTTMAPT
SCHEMBL9222254 0.75 ALDH1A1 (0.45) KMT2ACTBP2RXRARXRBRXRG
SCHEMBL6473235 0.75 TPMT (0.41) CTBP2RXRARXRBLMNAHTT
SCHEMBL397389 0.75 MEN1 (0.49) KMT2ANPC1LMNAHTTMAPT
SCHEMBL1921797 0.75 CTBP2 (0.56) KMT2ACTBP2NPC1LMNARAB9A

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-2023094549-A1 FLEXIBLE PRESSURE-SENSITIVE ADHESIVES HAVING IMPROVED PROPERTIES WESTFÄLISCHE HOCHSCHULE GELSENKIRCHEN BOCHOLT RECKLINGHAUSEN (DE) 2023-06-01 WO disclosed