SCHEMBL28477751

SCHEMBL28477751

CCCCc1c(CC)c(CC)cc(C(=O)O)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.43
GABRD O14764 2/20 0.43
GABRA1 P14867 2/20 0.43
GABRB1 P18505 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA5 P31644 2/20 0.43
GABRA3 P34903 2/20 0.43
GABRA2 P47869 2/20 0.43
GABRB2 P47870 2/20 0.43
GABRA4 P48169 2/20 0.43
GABRE P78334 2/20 0.43
GABRA6 Q16445 2/20 0.43
GABRG1 Q8N1C3 2/20 0.43
GABRG3 Q99928 2/20 0.43
GABRQ Q9UN88 2/20 0.43
PTPN1 P18031 1/20 0.38
PTPN11 Q06124 1/20 0.38
KAT8 Q9H7Z6 4/20 0.38
BID P55957 3/20 0.38

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
SCHEMBL13518321 0.95 GABRP (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL21948 0.94 KAT8 (0.46) PTPN1KAT8BIDMCL1PPARA
Alcohol SCHEMBL30321438 0.91 PPARA (0.44) PTPN1KAT8BIDMCL1PPARA
SCHEMBL1121887 0.89 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL996689 0.86 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL14989157 0.85 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL14989220 0.85 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7118734 0.85 PPARA (0.45) KAT8BIDMCL1PPARABCL2L1
SCHEMBL14989159 0.85 GABRP (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6229453 0.84 PPARA (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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111848845-B Catalyst for preparing low-entanglement ultrahigh molecular weight polyethylene and preparation method thereof 江苏扬农化工集团有限公司 2023-03-24 CN disclosed
CN-111848845-A Catalyst for preparing low-entanglement ultrahigh molecular weight polyethylene and preparation method thereof 江苏扬农化工集团有限公司 2020-10-30 CN disclosed