SCHEMBL9749602

SCHEMBL9749602

CCCC(Sc1nc(C)c(C(=O)O)s1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.50
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
PTGES O14684 1/20 0.40
ALOX5 P09917 1/20 0.40
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
PPARG P37231 8/20 0.38
PPARD Q03181 4/20 0.38
NPC1 O15118 2/20 0.37
KDM4E B2RXH2 2/20 0.37
RAB9A P51151 2/20 0.37
GAA P10253 1/20 0.37
POLB P06746 2/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL9749369 0.90 ALDH1A1 (0.44) PPARAALDH1A1HPGDTSHRHSD17B10
SCHEMBL9749529 0.78 ALDH1A1 (0.47) PPARAALDH1A1HPGDTSHRHSD17B10
SCHEMBL10360761 0.73 ALDH1A1 (0.57) ALDH1A1HPGDTSHRHSD17B10SMN1; SMN2
SCHEMBL9749614 0.72 ALDH1A1 (0.44) ALDH1A1HPGDTSHRHSD17B10SMN1; SMN2
SCHEMBL9749386 0.72 ALDH1A1 (0.44) ALDH1A1HPGDTSHRHSD17B10SMN1; SMN2
SCHEMBL9748472 0.70 ALDH1A1 (0.54) ALDH1A1HPGDTSHRHSD17B10SMN1; SMN2
SCHEMBL9811233 0.70 PPARA (0.74) PPARAPTGESALOX5SMN1; SMN2PPARG
SCHEMBL11392854 0.68 ALDH1A1 (0.50) ALDH1A1HPGDTSHRHSD17B10SMN1; SMN2
SCHEMBL9749534 0.68 APEX1 (0.54) ALDH1A1HPGDTSHRHSD17B10SMN1; SMN2
SCHEMBL9749375 0.67 ALDH1A1 (0.45) ALDH1A1HPGDTSHRHSD17B10SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0194572-B1 HETEROCYCLIC SULFIDES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1992-01-02 EP disclosed
US-4762848-A IMMUNE SYSTEM STIMULANTS, CYTOSTATIC AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1988-08-09 US disclosed