SCHEMBL9630952

SCHEMBL9630952

Cc1c(C)c2c(c(C)c1O)C(=O)CC(CCC(C)CCCC(C)C)(COc1ccc([N+](=O)[O-])cc1)O2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTPA P49638 3/20 0.41
MAPT P10636 5/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 2/20 0.39
GSTP1 P09211 1/20 0.39
USP2 O75604 1/20 0.39
THRB P10828 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
AKT1 P31749 2/20 0.35
PDE4A P27815 1/20 0.34
PDE3A Q14432 1/20 0.34
PSEN1 P49768 2/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
GAA P10253 1/20 0.33
NR1I2 O75469 2/20 0.33

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
SCHEMBL9630744 0.89 MEN1 (0.46) TTPAMAPTMEN1KMT2ANPC1
SCHEMBL9632315 0.86 KMT2A (0.42) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL9630725 0.81 CYP3A4 (0.42) MAPTMEN1KMT2AALDH1A1
SCHEMBL8980424 0.79 KMT2A (0.44) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL9631349 0.77 MEN1 (0.47) TTPAMAPTMEN1KMT2ALMNA
SCHEMBL9631440 0.76 KMT2A (0.38) TTPAMAPTMEN1KMT2ANPC1
SCHEMBL10639086 0.74 CYP3A4 (0.46) MAPTMEN1KMT2AALDH1A1
SCHEMBL9632039 0.73 NPC1 (0.36) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL10374535 0.73 CYP3A4 (0.40) MAPTMEN1KMT2AALDH1A1
SCHEMBL10374537 0.73 CYP3A4 (0.40) MAPTMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5104888-A Anticholesterol or antidiabetic agents SANKYO COMPANY, LIMITED (JP) 1992-04-14 US disclosed
EP-0207581-B1 THIAZOLIDINE DERIVATIVES, THEIR PREPARATION AND USE SANKYO COMPANY LIMITED (JP) 1990-09-12 EP disclosed
EP-0207581-A2 Thiazolidine derivatives, their preparation and use SANKYO COMPANY LIMITED (JP) 1987-01-07 EP disclosed