SCHEMBL22854087

SCHEMBL22854087

CCCS(=O)(=O)c1ccc(C(C)(C)C)cn1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 14/20 0.41
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
POLB P06746 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
LMNA P02545 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
SCHEMBL13335925 0.88 POLB (0.40) PPARDNPC1ALDH1A1RAB9APOLB
SCHEMBL18503874 0.81 PPARD (0.44) PPARDALDH1A1POLBTSHRHTT
SCHEMBL11204876 0.77 LOXL2 (0.39) ALDH1A1LOXL2LMNA
SCHEMBL2616418 0.77 CCR9 (0.43) ALDH1A1POLBLOXL2HTT
SCHEMBL2646780 0.76 PPARD (0.42) PPARDNPC1ALDH1A1RAB9APOLB
SCHEMBL4971748 0.76 CA12 (0.56) PPARDNPC1ALDH1A1RAB9ALOXL2
SCHEMBL16013946 0.76 GBA1 (0.41) PPARDNPC1ALDH1A1RAB9ALOXL2
SCHEMBL18379317 0.75 CA1 (0.55) ALDH1A1POLBLOXL2
SCHEMBL21553529 0.74 PPARD (0.36) PPARDNPC1ALDH1A1RAB9ATSHR
SCHEMBL24499303 0.74 ALDH1A1 (0.37) ALDH1A1POLBLOXL2HTTLMNA

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-2020261294-A1 NOVEL APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS MANKIND PHARMA LTD. (IN) 2020-12-30 WO disclosed