SCHEMBL8950779

SCHEMBL8950779

C#CC1(C)SCC(C(C)(C)C)CS1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRP O00591 3/20 0.40
GABRD O14764 3/20 0.40
GABRA1 P14867 3/20 0.40
GABRB1 P18505 3/20 0.40
GABRG2 P18507 3/20 0.40
GABRB3 P28472 3/20 0.40
GABRA5 P31644 3/20 0.40
GABRA3 P34903 3/20 0.40
GABRA2 P47869 3/20 0.40
GABRB2 P47870 3/20 0.40
GABRA4 P48169 3/20 0.40
GABRE P78334 3/20 0.40
GABRA6 Q16445 3/20 0.40
GABRG1 Q8N1C3 3/20 0.40
GABRG3 Q99928 3/20 0.40
GABRQ Q9UN88 3/20 0.40
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL9511280 0.78 ALDH1A1 (0.30) ALDH1A1TDP1
SCHEMBL8950630 0.75
SCHEMBL9511236 0.74 ALDH1A1 (0.31) ALDH1A1TDP1
SCHEMBL8950668 0.69 ALDH1A1 (0.32) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9631060 0.67 ALDH1A1 (0.33) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8950353 0.66 GABRP (0.55) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10654833 0.66 GABRP (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8950618 0.65
SCHEMBL9632766 0.65 ALDH1A1 (0.30) ALDH1A1TDP1
SCHEMBL9678629 0.64 ALDH1A1 (0.31) ALDH1A1TDP1

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
US-5502073-A INSECTICIDES OR ANTHELMINTICS THE WELLCOME FOUNDATION (GB) 1996-03-26 US disclosed
EP-0294229-A2 Novel heterocyclic pesticidal compounds THE WELLCOME FOUNDATION LIMITED (GB) 1988-12-07 EP disclosed