SCHEMBL8809462

SCHEMBL8809462

CCc1cc(C(C(=O)O)c2cc(C)c(N)c(CC)c2)cc(C)c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33
GABRG1 Q8N1C3 1/20 0.33
GABRG3 Q99928 1/20 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
SCHEMBL8811410 0.85 KDM4E (0.44) MAPTALDH1A1KDM4EPOLBGABRP
SCHEMBL8801972 0.81 ALDH1A1 (0.38) HTTMAPTALDH1A1KDM4EPOLB
SCHEMBL9571800 0.80 ALDH1A1 (0.37) HTTMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL23406351 0.78 HTT (0.46) HTTMAPTALDH1A1POLBNOS3
SCHEMBL9571798 0.76 ALDH1A1 (0.35) HTTMAPTALDH1A1KDM4ENOS3
SCHEMBL8800957 0.75 ALDH1A1 (0.34) HTTMAPTALDH1A1
SCHEMBL8801812 0.75 GAA (0.48) HTTMAPTALDH1A1MEN1KMT2A
SCHEMBL8809419 0.75 KDM4E (0.40) MAPTALDH1A1KDM4EPOLBCYP1A2
SCHEMBL22044346 0.75 HTT (0.41) HTTMAPTALDH1A1POLBNOS3
SCHEMBL8801095 0.74 ALDH1A1 (0.41) HTTMAPTALDH1A1TDP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4309563-A None JP disclosed
EP-0502278-B1 Polycyclic dyes ZENECA LTD (GB) 1997-03-05 EP disclosed
US-5374724-A Process for the preparation of substituted acetic acids ZENECA, LIMITED (GB) 1994-12-20 US disclosed
US-5189181-A Process for preparation 2,6-dihydrobenzo[1:26, 4:5-6]-difuran dyes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-02-23 US disclosed
JP-H04309563-A PRODUCTION OF POLYCYCLIC DYE AND SUBSTITUTED ACETIC ACID AND SUBSTITUTED ACETIC ACID COMPOUND IMPERIAL CHEM IND PLC <ICI> 1992-11-02 JP disclosed
EP-0502278-A1 Polycyclic dyes ZENECA LIMITED (GB) 1992-09-09 EP disclosed