SCHEMBL10535161

SCHEMBL10535161

CCNCCS(=O)(=O)CCO

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.35
MEN1 O00255 1/20 0.35
GLA P06280 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.33
TP53 P04637 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
SCHEMBL9178614 0.87 CYP2C19 (0.42) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL9816532 0.85 APEX1 (0.32)
SCHEMBL9816606 0.84 PAOX (0.36)
SCHEMBL9816580 0.81 TSHR (0.41) MEN1KMT2ATSHR
SCHEMBL19650234 0.80 CYP2C19 (0.41) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL9816370 0.79 ALDH1A1 (0.50) TSHR
SCHEMBL9816627 0.78 ALDH1A1 (0.48) TSHR
SCHEMBL9816529 0.78 ALDH1A1 (0.48) TSHR
SCHEMBL9816676 0.78 ALDH1A1 (0.48) TSHR
SCHEMBL9816512 0.78 ALDH1A1 (0.48) TSHR

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-4841028-A FOR COLD PAD-BATCH PROCESS HUNTSMAN INTERNATIONAL LLC 1989-06-20 US disclosed
US-4709018-A COLORFAST CIBA-GEIGY CORPORATION (US) 1987-11-24 US disclosed