SCHEMBL7448596

SCHEMBL7448596

CCC(C)(OC(C)(CC)c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 3/20 0.43
TAAR1 Q96RJ0 2/20 0.43
ALOX15 P16050 1/20 0.43
KCNN4 O15554 3/20 0.41
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
SLC6A2 P23975 1/20 0.38
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
NR3C2 P08235 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL11208770 0.86 MAPK1 (0.52) MAPK1ALDH1A1TAAR1ALOX15KCNN4
SCHEMBL1774346 0.84 MAPK1 (0.44) MAPK1ALDH1A1TAAR1ALOX15KCNN4
SCHEMBL297402 0.82 ALDH1A1 (0.56) MAPK1ALDH1A1TAAR1ALOX15KCNN4
SCHEMBL5387344 0.82 MAPK1 (0.43) MAPK1ALDH1A1TAAR1ALOX15KCNN4
SCHEMBL21681665 0.80 MAPK1 (0.41) MAPK1ALDH1A1TAAR1ALOX15KCNN4
SCHEMBL28331955 0.80 MAPK1 (0.41) MAPK1ALDH1A1TAAR1ALOX15KCNN4
SCHEMBL7183649 0.79 MAPK1 (0.44) MAPK1ALDH1A1TAAR1ALOX15KCNN4
SCHEMBL14946776 0.79 ALDH1A1 (0.42) MAPK1ALDH1A1TAAR1ALOX15KCNN4
SCHEMBL2452793 0.79 MAPK1 (0.40) MAPK1ALDH1A1TAAR1ALOX15KCNN4
SCHEMBL14389655 0.79 MAPK1 (0.68) MAPK1ALDH1A1TAAR1ALOX15KCNN4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111051470-B Process for preparing liquid composition 住友化学株式会社 2020-11-10 CN disclosed
CN-111051470-A Process for preparing liquid composition 住友化学株式会社 2020-04-21 CN disclosed
EP-0977743-A1 PROTEASE INHIBITORS Smithkline Beecham (US) 2000-02-09 EP disclosed
WO-1998049152-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-05 WO disclosed
EP-0344755-A1 Components and catalysts for the polymerization of olefins MONTELL NORTH AMERICA INC. (US) 1989-12-06 EP disclosed