SCHEMBL29116647

SCHEMBL29116647

CC1(c2ccccc2)CC(=O)N(N)C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.50
ALDH1A1 P00352 4/20 0.49
BACE1 P56817 4/20 0.43
GRM4 Q14833 1/20 0.40
MMP2 P08253 2/20 0.38
MMP9 P14780 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MMP1 P03956 1/20 0.38
BACE2 Q9Y5Z0 2/20 0.37
REN P00797 1/20 0.37
APP P05067 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CTSD P07339 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
PLIN1 O60240 1/20 0.35
MAPT P10636 1/20 0.35

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
Methsuximide SCHEMBL34852 0.80 CYP19A1 (0.70) CYP19A1ALDH1A1BACE1GRM4MMP2
Methsuximide SCHEMBL34853 0.80 CYP19A1 (0.70) CYP19A1ALDH1A1BACE1GRM4MMP2
SCHEMBL13684394 0.76 CYP19A1 (0.44) CYP19A1ALDH1A1BACE1GRM4MMP2
SCHEMBL11930003 0.76 CYP19A1 (0.44) CYP19A1ALDH1A1BACE1GRM4MMP2
SCHEMBL14037658 0.76 CYP19A1 (0.47) CYP19A1BACE1BACE2CYP2C19GRM2
SCHEMBL11243052 0.74 GRM4 (0.46) CYP19A1ALDH1A1BACE1GRM4MEN1
SCHEMBL24126788 0.73 ELANE (0.56) MEN1KMT2ACYP2C19GRM2
SCHEMBL5334247 0.72 ALDH1A1 (0.51) CYP19A1ALDH1A1MMP2MMP9KMT2A
SCHEMBL8293499 0.72 CYP19A1 (0.41) CYP19A1ALDH1A1BACE1MMP2MMP9
SCHEMBL22147811 0.71 MMP1 (0.51) ALDH1A1BACE1MMP2MMP9MEN1

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
CN-116712596-A Spray-type medical adhesive for in-vivo wound surface and preparation method thereof 北京福爱乐科技发展有限公司 2023-09-08 CN claimed