SCHEMBL16097401

SCHEMBL16097401

Cc1ccc(SCOC(=O)C(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.46
ALDH1A1 P00352 5/20 0.41
MAPK1 P28482 2/20 0.41
MAPT P10636 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
USP2 O75604 1/20 0.40
NPC1 O15118 2/20 0.39
TP53 P04637 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
FKBP1A P62942 1/20 0.38
GAA P10253 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
SCHEMBL16096287 0.85 ELANE (0.44) HPGDALDH1A1MAPTMEN1KMT2A
SCHEMBL16097304 0.73 RAB9A (0.58) HPGDALDH1A1MAPK1MAPTMEN1
SCHEMBL16097402 0.73 MAPT (0.42) ALDH1A1MAPK1MAPTMEN1KMT2A
SCHEMBL859603 0.73 MAOB (0.49) HPGDALDH1A1MAPTNPC1RAB9A
SCHEMBL16672693 0.70 NPC1 (0.45) HPGDMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3185192 0.70 RAB9A (0.58) HPGDALDH1A1MAPK1MAPTMEN1
SCHEMBL28023317 0.70 HPGD (0.48) HPGDALDH1A1MAPK1MAPTUSP2
SCHEMBL1465616 0.69 ALDH1A1 (0.46) HPGDALDH1A1MAPTNPC1TP53
SCHEMBL11089884 0.69 KMT2A (0.40) HPGDALDH1A1MAPK1MAPTKMT2A
SCHEMBL16785739 0.69 RAB9A (0.49) HPGDALDH1A1MAPK1MAPTMEN1

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-3016964-A1 METHOD FOR INCORPORATING PROTECTING ACETAL AND ACETAL ESTER GROUPS, AND ITS APPLICATION FOR THE PROTECTION OF HYDROXYL FUNCTION Instytut Chemii Bioorganicznej Polskiej Akademii Nauk (PL) 2016-05-11 EP disclosed
WO-2014148928-A1 METHOD FOR INCORPORATING PROTECTING ACETAL AND ACETAL ESTER GROUPS, AND ITS APPLICATION FOR THE PROTECTION OF HYDROXYL FUNCTION INSTYTUT CHEMII BIOORGANICZNEJ POLSKIEJ AKADEMII NAUK (PL) 2014-09-25 WO disclosed