SCHEMBL27354593

SCHEMBL27354593

CC(C)(C)OOC(C)(C)C.CC(CCC(=O)O)C(C)(C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.41
GABRD O14764 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRB1 P18505 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRA2 P47869 2/20 0.41
GABRB2 P47870 2/20 0.41
GABRA4 P48169 2/20 0.41
GABRE P78334 2/20 0.41
GABRA6 Q16445 2/20 0.41
GABRG1 Q8N1C3 2/20 0.41
GABRG3 Q99928 2/20 0.41
GABRQ Q9UN88 2/20 0.41
CYP1A2 P05177 2/20 0.41
FOLH1 Q04609 8/20 0.33
TET2 Q6N021 3/20 0.33
KDM4A O75164 2/20 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
SCHEMBL19717 0.90 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
Ammonia Solution, Strong SCHEMBL28218219 0.88 GABRP (0.46) GABRPGABRDGABRA1GABRB1GABRG2
Water SCHEMBL28072569 0.88 GABRP (0.46) GABRPGABRDGABRA1GABRB1GABRG2
Hydrochloric Acid SCHEMBL11166387 0.88 GABRP (0.46) GABRPGABRDGABRA1GABRB1GABRG2
Ammonia Solution, Strong SCHEMBL28464993 0.88 GABRP (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL21616694 0.83 CTSK (0.36) SLC6A3MEN1TSHRNFKB1KMT2A
SCHEMBL14843136 0.80 GABRP (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9540341 0.79 GABRP (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL27561106 0.78 MAPT (0.40) CYP1A2MEN1TSHRKMT2AMAPT
SCHEMBL7162252 0.77 FFAR4 (0.44) MEN1TSHRNFKB1KMT2AENPEP

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100335975-C Color mixing agent and imaging method CANON KK (JP) 2007-09-05 CN disclosed
CN-1264852-A Color mixing agent and imaging method CANON KK (JP) 2000-08-30 CN disclosed
CN-1051782-C Resin composition for producing foamed hot-molded article and molded article produced from the resin composition FOSECO INT (GB) 2000-04-26 CN disclosed
CN-1226470-A Method of producing metal casting FOSECO INT (GB) 1999-08-25 CN disclosed
CN-1084863-A Resin composition for producing foamed hot-molded article, molded article produced from the resin composition, and use thereof for metal casting FOSECO INT (GB) 1994-04-06 CN disclosed