SCHEMBL7222243

SCHEMBL7222243

Cc1cccc(SCC(=O)Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
KMT2A Q03164 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
RECQL P46063 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
APEX1 P27695 1/20 0.45
FFAR1 O14842 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
TERT O14746 1/20 0.39
CTSB P07858 1/20 0.39
ELANE P08246 1/20 0.39
DUSP3 P51452 1/20 0.39
PKM P14618 1/20 0.39
PARP1 P09874 1/20 0.39

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
SCHEMBL10222036 0.84 APEX1 (0.64) ALDH1A1POLBKMT2ANPC1RAB9A
SCHEMBL5444019 0.81 HPGD (0.38) ALDH1A1KMT2ANPC1RAB9ARECQL
SCHEMBL3645529 0.81 ALDH1A1 (0.48) ALDH1A1POLBKMT2ANPC1RAB9A
SCHEMBL13949073 0.79 ALDH1A1 (0.53) ALDH1A1POLBKMT2ANPC1RAB9A
SCHEMBL17325394 0.79 GAA (0.49) ALDH1A1POLBKMT2ANPC1RAB9A
SCHEMBL12868378 0.79 ALDH1A1 (0.56) ALDH1A1POLBKMT2ANPC1RAB9A
SCHEMBL7221835 0.79 APEX1 (0.42) ALDH1A1POLBL3MBTL1APEX1FFAR1
SCHEMBL11872577 0.78 ALDH1A1 (0.55) ALDH1A1POLBKMT2ANPC1RAB9A
SCHEMBL17785160 0.78 LMNA (0.50) ALDH1A1POLBKMT2ANPC1RAB9A
SCHEMBL19982476 0.77 MEN1 (0.53) POLBKMT2ANPC1RAB9ARECQL

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6552226-B1 Rapid; low temperature; one pot synthesis; reduced catalytic quantities of such as lewis acid and tertiary amine; entiomerically pure products THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-04-22 US disclosed
WO-2002026683-A1 TANDEM ACYL-CLAISEN REARRANGEMENT IN THE PREPARATION OF CHIRAL PRODUCTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2002-04-04 WO disclosed
US-6359174-B1 REACTING ALLYL REACTANT WITH ACID CHLORIDE IN PRESENCE OF LEWIS ACID CATALYST THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-03-19 US disclosed
US-4141894-A ANALGESICS, ANTAGONISTS ELI LILLY AND COMPANY (US) 1979-02-27 US disclosed