SCHEMBL29599552

SCHEMBL29599552

COC(=O)c1cccc(SC(C)(C)C)c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 2/20 0.45
POLB P06746 2/20 0.41
HSD17B10 Q99714 2/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 3/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RAB9A P51151 1/20 0.38
CFTR P13569 1/20 0.38
PSMD14 O00487 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA5A P35218 1/20 0.38

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
SCHEMBL24371611 1.00 SMN1; SMN2 (0.45) SMN1; SMN2MEN1KMT2AALDH1A1POLB
SCHEMBL29599304 0.87 SMN1; SMN2 (0.48) SMN1; SMN2MEN1KMT2AALDH1A1POLB
SCHEMBL29599533 0.87 SMN1; SMN2 (0.48) SMN1; SMN2MEN1KMT2AALDH1A1POLB
SCHEMBL24371870 0.87 SMN1; SMN2 (0.48) SMN1; SMN2MEN1KMT2AALDH1A1POLB
SCHEMBL8421994 0.83 ALDH1A1 (0.55) SMN1; SMN2MEN1KMT2AALDH1A1POLB
SCHEMBL6551228 0.79 TSHR (0.56) SMN1; SMN2MEN1KMT2AALDH1A1POLB
SCHEMBL16957915 0.77 ALDH1A1 (0.50) SMN1; SMN2MEN1KMT2AALDH1A1POLB
SCHEMBL1032670 0.77 ALDH1A1 (0.68) SMN1; SMN2MEN1KMT2AALDH1A1POLB
SCHEMBL206164 0.77 TSHR (0.58) SMN1; SMN2MEN1KMT2AALDH1A1POLB
SCHEMBL2521491 0.77 HPGD (0.52) SMN1; SMN2MEN1KMT2AALDH1A1POLB

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
EP-4232431-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH LPA RECEPTOR ACTIVITY Lhotse Bio, Inc. (US) 2023-08-30 EP disclosed
WO-2022083703-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH LPA RECEPTOR ACTIVITY LHOTSE BIO, INC. (US) 2022-04-28 WO disclosed