SCHEMBL27090355

SCHEMBL27090355

C=C(C)Cc1cccc(N(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.47
▸ TSHR P16473 1/20 0.47
▸ KMT2A Q03164 3/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ GAA P10253 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ NOS1 P29475 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ APP P05067 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ FYN P06241 1/20 0.36
▸ SIGMAR1 Q99720 4/20 0.36
▸ TMEM97 Q5BJF2 1/20 0.35
▸ CRHBP P24387 1/20 0.35
▸ CRHR2 Q13324 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
SCHEMBL20262937 0.82 SLC7A5 (0.39) ALDH1A1NOS1SMN1; SMN2
SCHEMBL3825118 0.81 HDAC1 (0.51) ALDH1A1TSHRKMT2AL3MBTL1HDAC1
Hydrochloric Acid SCHEMBL7259023 0.80 HDAC1 (0.50) ALDH1A1TSHRKMT2AL3MBTL1HDAC1
SCHEMBL2553049 0.78 KMT2A (0.54) ALDH1A1TSHRKMT2AL3MBTL1HDAC1
SCHEMBL13378362 0.76 HTR3E (0.56) ALDH1A1TSHRKMT2AL3MBTL1HDAC1
SCHEMBL28031258 0.76 HDAC1 (0.50) ALDH1A1TSHRKMT2AL3MBTL1HDAC1
SCHEMBL14144568 0.76 ALDH1A1 (0.54) ALDH1A1TSHRKMT2AHDAC1HDAC6
SCHEMBL27332 0.76 ALDH1A1 (0.54) ALDH1A1TSHRKMT2AL3MBTL1HDAC1
SCHEMBL2536856 0.76 ALDH1A1 (0.48) ALDH1A1TSHRKMT2AL3MBTL1HDAC1
SCHEMBL11861528 0.76 HDAC1 (0.60) ALDH1A1TSHRKMT2AL3MBTL1HDAC1

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
US-20240052109-A1 POLYSILOXANE VINYLIC MONOMERS AND USES THEREOF ALCON INC. (CH) 2024-02-15 — — US disclosed
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