SCHEMBL9420108

SCHEMBL9420108

CC(CCC(=O)O)CC(=O)OC(=O)CCCCC(=O)OC(=O)CC(C)CCC(=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 1/20 0.41
TSHR P16473 2/20 0.39
MAPT P10636 1/20 0.38
LMNA P02545 4/20 0.36

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
SCHEMBL2474872 0.92 GABRP (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL27726263 0.81 TSHR (0.47) TSHRLMNAALDH1A1NFKB1PMP22
SCHEMBL15512626 0.80 LMNA (0.50) CYP1A2TSHRMAPTLMNAALDH1A1
SCHEMBL27905662 0.79 TSHR (0.45) TSHRMAPTLMNAALDH1A1NFKB1
SCHEMBL1739619 0.79 LMNA (0.53) TSHRMAPTLMNAALDH1A1PAM
SCHEMBL8852570 0.79 TSHR (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8326296 0.79 TSHR (0.48) GABRPGABRDGABRA1GABRB1GABRG2
Adipic Acid SCHEMBL9420106 0.78 LMNA (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL18127624 0.76 ALDH1A1 (0.44) TSHRMAPTLMNAALDH1A1
SCHEMBL3584803 0.76 GABRP (0.47) 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
EP-0621881-A1 PROCESS FOR INCREASING STABILITY OF POLY(ESTERAMIDES). MINNESOTA MINING & MFG (US) 1994-11-02 EP disclosed
WO-1993015130-A2 PROCESS FOR INCREASING STABILITY OF POLY(ESTERAMIDES) MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-08-05 WO disclosed