SCHEMBL2484324

SCHEMBL2484324

CC(=O)O[C@H](C)C1(C)CO1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
TBXA2R P21731 1/20 0.34
GALR3 O60755 1/20 0.33
MAPT P10636 1/20 0.33
BLM P54132 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
SCHEMBL2484323 1.00 TSHR (0.44) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL12694792 1.00 TSHR (0.44) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL6848903 0.76 TSHR (0.42) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL13648285 0.71 TDP1 (0.44) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL12608574 0.70
SCHEMBL11553089 0.70 TSHR (0.41) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL17839047 0.69 TSHR (0.36) TSHR
SCHEMBL31374111 0.68 TSHR (0.39) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL4352926 0.65 TSHR (0.41) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL11981298 0.64

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-2377539-A1 Quinazoline analogs as receptor tyrosine kinase inhibitors Array Biopharma, Inc. (US) 2011-10-19 EP disclosed