SCHEMBL30453932

SCHEMBL30453932

CC(C)c1ccc(C=O)cn1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.48
KDM4E B2RXH2 1/20 0.42
ALDH1A3 P47895 2/20 0.39
ALDH1A1 P00352 7/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KCNJ1 P48048 1/20 0.39
CYP2A6 P11509 3/20 0.38
ALDH3A1 P30838 1/20 0.36
CHRNA7 P36544 1/20 0.35
CYP2A13 Q16696 1/20 0.34
FDPS P14324 1/20 0.34
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL2555492 1.00 TYR (0.48) TYRKDM4EALDH1A3ALDH1A1L3MBTL1
SCHEMBL15330759 0.84 TYR (0.41) TYRKDM4EALDH1A3ALDH1A1L3MBTL1
SCHEMBL2558733 0.84 TYR (0.41) TYRKDM4EALDH1A3ALDH1A1L3MBTL1
SCHEMBL15329927 0.81 TYR (0.38) TYRKDM4EALDH1A3ALDH1A1L3MBTL1
SCHEMBL2558532 0.81 TYR (0.38) TYRKDM4EALDH1A3ALDH1A1L3MBTL1
SCHEMBL29900333 0.79 ALDH1A1 (0.42) TYRKDM4EALDH1A3ALDH1A1L3MBTL1
SCHEMBL3231297 0.79 ALDH1A1 (0.40) TYRALDH1A1CHRNA7LMNA
SCHEMBL475367 0.79 ALDH1A1 (0.42) TYRKDM4EALDH1A3ALDH1A1L3MBTL1
SCHEMBL20247172 0.79 KDM4E (0.42) TYRKDM4EALDH1A3ALDH1A1L3MBTL1
SCHEMBL890254 0.78 LMNA (0.36) TYRKDM4EALDH1A1L3MBTL1CHRNA7

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-2023122000-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. (US) 2023-06-29 WO disclosed