SCHEMBL28469332

SCHEMBL28469332

C=Cc1ccc(OCC(C)C)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
GABRA4 P48169 1/20 0.40
GABRE P78334 1/20 0.40
GABRA6 Q16445 1/20 0.40
GABRG1 Q8N1C3 1/20 0.40
GABRG3 Q99928 1/20 0.40
GABRQ Q9UN88 1/20 0.40
AKT1 P31749 1/20 0.36
MLNR O43193 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL998514 0.77 TUBB4A (0.53) KDM4EALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL11983538 0.76 GABRP (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL408132 0.76 CHRNB2 (0.50) KDM4EALDH1A1NPC1RAB9ACHRNB2
SCHEMBL2608835 0.74 GABRA5 (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL21323581 0.74 GABRP (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10154541 0.74 GABRA5 (0.42) GABRPGABRDGABRA1GABRB1GABRG2
Ammonia Solution, Strong SCHEMBL28712158 0.74 CHRNB2 (0.49) KDM4EALDH1A1NPC1RAB9ACHRNB2
SCHEMBL17658893 0.74 GABRP (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10154319 0.74 ESR1 (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL26826929 0.74 ALDH1A1 (0.49) GABRPGABRDGABRA1GABRB1GABRG2

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-108950645-B Aluminum and aluminum alloy anodic oxidation nickel-free sealing agent 上海铝通化学科技有限公司 2020-10-23 CN disclosed