SCHEMBL9821204

SCHEMBL9821204

C[C](C)C1(C)CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FFAR3 O14843 1/20 0.32
CETP P11597 1/20 0.31

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
SCHEMBL3624649 0.80 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2FFAR3CETP
SCHEMBL11843545 0.75 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2
SCHEMBL12660610 0.75 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2FFAR3CETP
SCHEMBL19189160 0.75 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2
SCHEMBL17574280 0.75 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2FFAR3CETP
SCHEMBL14407687 0.75 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2FFAR3CETP
SCHEMBL6682954 0.75 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2
SCHEMBL6866082 0.75 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2FFAR3CETP
SCHEMBL12626878 0.75 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2FFAR3CETP
SCHEMBL18597117 0.73 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2FFAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4999426-A Preparation of 4-azasaccharines CIBA-GEIGY CORPORATION (US) 1991-03-12 US disclosed
US-4889933-A HERBICIDES CIBA-GEIGY CORPORATION (US) 1989-12-26 US disclosed
EP-0308371-A1 4-Aza-saccharines, 4-aza-dihydro- or -tetrahydrosaccharines and process for their preparation CIBA-GEIGY AG (CH) 1989-03-22 EP disclosed
US-4755317-A Decahydronaphthalene compound IDEMITSU KOSAN COMPANY LIMITED (JP) 1988-07-05 US disclosed
EP-0240814-A2 A working fluid for traction drive IDEMITSU KOSAN COMPANY LIMITED (JP) 1987-10-14 EP disclosed