SCHEMBL9730683

SCHEMBL9730683

CC[C@H](C)Oc1cccc[n+]1[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.39
ABCC1 P33527 1/20 0.39
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33
GABRG1 Q8N1C3 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
SCHEMBL9730680 1.00 ABCB1 (0.39) ABCB1ABCC1KMT2AL3MBTL1LMNA
SCHEMBL21494398 0.81 KMT2A (0.41) ABCB1ABCC1KMT2AL3MBTL1LMNA
SCHEMBL31547606 0.74
SCHEMBL2791561 0.74
SCHEMBL9618880 0.73 LMNA (0.39) ABCB1ABCC1KMT2AL3MBTL1LMNA
Hydrochloric Acid SCHEMBL9313820 0.72 LMNA (0.41) KMT2AL3MBTL1LMNAHTTSLC2A1
SCHEMBL28531618 0.72 LMNA (0.41) KMT2AL3MBTL1LMNAHTTSLC2A1
SCHEMBL8442477 0.72 LMNA (0.38) KMT2AL3MBTL1LMNAHTTKDM4E
SCHEMBL4116802 0.70 RAB9A (0.37) KMT2AL3MBTL1LMNAHTTMAPT
SCHEMBL10116257 0.68 KMT2A (0.40) ABCB1ABCC1KMT2AL3MBTL1LMNA

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-5145601-A Ferroelectric liquid crystals with nicotinic acid cores THE UNIVERSITY OF COLORADO FOUNDATION INC. (US) 1992-09-08 US disclosed