SCHEMBL24734696

SCHEMBL24734696

CCN1CC[C@H](O)[C@](C)(O)C1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
EPHX1 P07099 3/20 0.33
EPHX2 P34913 2/20 0.32
HSD11B1 P28845 3/20 0.30
TSHR P16473 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
SCHEMBL24791130 0.84 SMN1; SMN2 (0.41) SMN1; SMN2EPHX1EPHX2HSD11B1
SCHEMBL26893467 0.84 SMN1; SMN2 (0.41) SMN1; SMN2EPHX1EPHX2HSD11B1
SCHEMBL24997017 0.82 SMN1; SMN2 (0.38) SMN1; SMN2EPHX1EPHX2HSD11B1TSHR
SCHEMBL24734642 0.79
SCHEMBL25784991 0.79
SCHEMBL21563162 0.76 SMN1; SMN2 (0.37) SMN1; SMN2EPHX1EPHX2HSD11B1TSHR
SCHEMBL5151714 0.73 ACHE (0.53) TSHR
SCHEMBL16659920 0.73 ACHE (0.53) TSHR
SCHEMBL24734693 0.72 ALDH1A1 (0.34) SMN1; SMN2
SCHEMBL15314555 0.72 ALDH1A1 (0.34) SMN1; SMN2

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
WO-2022256459-A1 KRAS MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. (US) 2022-12-08 WO disclosed