SCHEMBL13849271

SCHEMBL13849271

CC(C)CCC1(CN)CCC1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.33
BLM P54132 1/20 0.33
CACNA2D1 P54289 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL2633895 0.76 USP2 (0.35) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL16985052 0.73
SCHEMBL28835006 0.73 USP2 (0.42) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL31311243 0.73
SCHEMBL21633974 0.71 CDC25A (0.31)
SCHEMBL4117794 0.71
SCHEMBL16985055 0.70 ALDH1A1 (0.34) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL860116 0.70 USP2 (0.43) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL13644279 0.70 TSHR (0.31) USP2ALDH1A1LMNACYP1A2TSHR
Hydrochloric Acid SCHEMBL10341724 0.68 USP2 (0.44) USP2ALDH1A1LMNACYP1A2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2055705-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF Ono Pharmaceutical CO., LTD. (JP) 2009-05-06 EP disclosed