SCHEMBL10470575

SCHEMBL10470575

CCSCC1CN(C(=O)CCl)C(C)(C)O1

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL10471726 0.82
SCHEMBL6889580 0.75 ALDH1A1 (0.39) ALDH1A1POLBHTTSMN1; SMN2
SCHEMBL11071135 0.64 YAP1 (0.39) ALDH1A1HTTSMN1; SMN2
SCHEMBL7946105 0.62 YAP1 (0.43) ALDH1A1POLBHTT
SCHEMBL10470574 0.59
SCHEMBL21757745 0.59 NR1H2 (0.37) ALDH1A1SMN1; SMN2
SCHEMBL10471453 0.56 CYP1A2 (0.32)
SCHEMBL16875997 0.56 CNR2 (0.38) ALDH1A1POLBHTTSMN1; SMN2
SCHEMBL24658818 0.56 NR1H2 (0.43) ALDH1A1SMN1; SMN2
SCHEMBL3394299 0.56

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4965368-A USED FOR THIOLCARBAMATES ICI AMERICAS INC. (US) 1990-10-23 US disclosed
EP-0021759-B1 5-SUBSTITUTED OXAZOLIDINES HAVING HERBICIDE ANTIDOTE ACTIVITY, PRODUCTION THEREOF, HERBICIDAL COMPOSITIONS CONTAINING THEM, USE THEREOF IN PREVENTING INJURY TO CROPS AND CROP SEEDS COATED THEREWITH STAUFFER CHEMICAL COMPANY (US) 1984-09-26 EP disclosed
EP-0021759-A1 5-Substituted oxazolidines having herbicide antidote activity, production thereof, herbicidal compositions containing them, use thereof in preventing injury to crops and crop seeds coated therewith STAUFFER CHEMICAL COMPANY (US) 1981-01-07 EP disclosed