SCHEMBL13686398

SCHEMBL13686398

BC[C@](C)(O)C(=O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
TET2 Q6N021 1/20 0.38
HMGCR P04035 1/20 0.36
CHRM1 P11229 1/20 0.36
TBXA2R P21731 1/20 0.36
ADRA1A P35348 1/20 0.36

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
SCHEMBL9882905 0.78
SCHEMBL4425053 0.76 TSHR (0.45) ALDH1A1TSHRTET2HMGCRCHRM1
SCHEMBL2932467 0.76 TSHR (0.45) ALDH1A1TSHRTET2HMGCRCHRM1
SCHEMBL126425 0.74 HMGCR (0.55) ALDH1A1TSHRTET2HMGCRCHRM1
SCHEMBL13686379 0.72
SCHEMBL29365048 0.72 ALDH1A1 (0.41) ALDH1A1TSHRTET2HMGCRCHRM1
SCHEMBL860611 0.67
SCHEMBL28634491 0.67 LMNA (0.42) ALDH1A1TSHR
SCHEMBL16045720 0.65 ALDH1A1 (0.44) ALDH1A1TSHRHMGCRCHRM1TBXA2R
SCHEMBL15105881 0.65 TSHR (0.38) ALDH1A1TSHRTET2HMGCRCHRM1

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
US-7595402-B2 Prodrugs of selective androgen receptor modulators and methods of use thereof GTX, INC. (US) 2009-09-29 US disclosed