SCHEMBL8724102

SCHEMBL8724102

Nc1c(C(=O)O)ccc(CCCl)c1CCCl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 2/20 0.38
G6PD P11413 1/20 0.38
CASP7 P55210 1/20 0.38
GABRP O00591 5/20 0.37
GABRD O14764 5/20 0.37
GABRA1 P14867 5/20 0.37
GABRB1 P18505 5/20 0.37
GABRG2 P18507 5/20 0.37
GABRB3 P28472 5/20 0.37
GABRA5 P31644 5/20 0.37
GABRA3 P34903 5/20 0.37
GABRA2 P47869 5/20 0.37
GABRB2 P47870 5/20 0.37
GABRA4 P48169 5/20 0.37
GABRE P78334 5/20 0.37
GABRA6 Q16445 5/20 0.37
GABRG1 Q8N1C3 5/20 0.37
GABRG3 Q99928 5/20 0.37
GABRQ Q9UN88 5/20 0.37
ALDH1A1 P00352 4/20 0.35

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
SCHEMBL27789467 0.83 GABRP (0.43) CASP6G6PDCASP7GABRPGABRD
SCHEMBL10626499 0.81 CASP6 (0.39) CASP6G6PDCASP7GABRPGABRD
SCHEMBL9017949 0.81 CYP1A2 (0.35) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL27789457 0.80 GABRP (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7160625 0.79 KDM4E (0.41) CASP6G6PDCASP7GABRPGABRD
SCHEMBL626005 0.78 DHODH (0.38) CASP6G6PDCASP7GABRPGABRD
Hydrochloric Acid SCHEMBL9258689 0.78 GABRP (0.42) CASP6G6PDCASP7GABRPGABRD
SCHEMBL27799042 0.78 PPARA (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10435402 0.78 PPARA (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7720169 0.77 G6PD (0.56) CASP6G6PDCASP7ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5716990-A PRODRUGS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1998-02-10 US disclosed
EP-0408546-B1 IMPROVEMENTS RELATING TO DRUG DELIVERY SYSTEMS CANCER RES CAMPAIGN TECH (GB) 1994-04-27 EP disclosed
EP-0408546-A1 IMPROVEMENTS RELATING TO DRUG DELIVERY SYSTEMS. CANCER RES CAMPAIGN TECH (GB) 1991-01-23 EP disclosed
WO-1988007378-A1 IMPROVEMENTS RELATING TO DRUG DELIVERY SYSTEMS CANCER RESEARCH CAMPAIGN TECHNOLOGY LTD. (GB) 1988-10-06 WO disclosed