SCHEMBL6132147

SCHEMBL6132147

CC=CCc1c(C(=O)O)ccc(C(=O)O)c1CC=CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
GABRP O00591 3/20 0.38
GABRD O14764 3/20 0.38
GABRA1 P14867 3/20 0.38
GABRB1 P18505 3/20 0.38
GABRG2 P18507 3/20 0.38
GABRB3 P28472 3/20 0.38
GABRA5 P31644 3/20 0.38
GABRA3 P34903 3/20 0.38
GABRA2 P47869 3/20 0.38
GABRB2 P47870 3/20 0.38
GABRA4 P48169 3/20 0.38
GABRE P78334 3/20 0.38
GABRA6 Q16445 3/20 0.38
GABRG1 Q8N1C3 3/20 0.38
GABRG3 Q99928 3/20 0.38
GABRQ Q9UN88 3/20 0.38
HAAO P46952 1/20 0.37
ALDH1A1 P00352 5/20 0.36
ALOX15 P16050 1/20 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
SCHEMBL6132209 0.84 CYP1A2 (0.32) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL4591224 0.81 CYP1A2 (0.42) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL2832593 0.81 CES2 (0.35) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL6132241 0.81 CYP1A2 (0.32) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL10877110 0.81 CYP1A2 (0.32) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL2834426 0.81 ALB (0.47) ALDH1A1ALOX15GAAKDM4EPTPN1
SCHEMBL3361264 0.76 MYC (0.42) ALDH1A1MAPTGAAKDM4EPTPN1
SCHEMBL8102951 0.76 MYC (0.42) ALDH1A1MAPTGAAKDM4EPTPN1
SCHEMBL1412479 0.76 CYP1A2 (0.46) CYP1A2HAAOALDH1A1ALOX15MAPT
SCHEMBL7369716 0.75 FOLH1 (0.50) ALDH1A1ALOX15GAAKDM4EHMGB1

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-20050175850-A1 Flexible metal laminate and heat-resistant adhesive composition TOMOEGAWA PAPER CO., LTD (JP) 2005-08-11 US disclosed