SCHEMBL26208705

SCHEMBL26208705

CC#CCOc1ccc(C=C(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 20/20 0.44
MMP13 P45452 12/20 0.42
MMP9 P14780 12/20 0.42
MMP2 P08253 4/20 0.42
MMP8 P22894 3/20 0.42
MMP1 P03956 11/20 0.42
MMP14 P50281 1/20 0.42
MMP7 P09237 2/20 0.40
MMP3 P08254 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
SCHEMBL26208728 0.86 ABL1 (0.37) ADAM17MMP13MMP9MMP2MMP8
SCHEMBL26208721 0.83 ADAM17 (0.35) ADAM17MMP13MMP9MMP2MMP8
SCHEMBL15274643 0.81 ADAM17 (0.58) ADAM17MMP13MMP9MMP2MMP8
SCHEMBL26208703 0.81 ADAM17 (0.40) ADAM17
SCHEMBL26208697 0.81 MAOB (0.49)
SCHEMBL26208727 0.79 PDE4B (0.46)
SCHEMBL3969663 0.79 ADAM17 (0.50) ADAM17MMP13MMP9MMP2MMP8
SCHEMBL17202385 0.78 KMT2A (0.58) ADAM17MMP13MMP9MMP2MMP8
SCHEMBL17202384 0.78 KMT2A (0.58) ADAM17MMP13MMP9MMP2MMP8
SCHEMBL26208724 0.76 ADAM17 (0.37) ADAM17MMP13MMP9MMP2MMP8

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
US-20230280655-A1 COMPOSITION FOR FORMING ORGANIC FILM, PATTERNING PROCESS, AND COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-09-07 US disclosed
US-20230280655-A1 COMPOSITION FOR FORMING ORGANIC FILM, PATTERNING PROCESS, AND COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-09-07 US disclosed