SCHEMBL13170232

SCHEMBL13170232

COC(=O)Cc1cc(C(C)(C)C)c(O[PH](=O)Oc2c(C(C)(C)C)cc(CC(=O)OC)cc2C(C)(C)C)c(C(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.47
VCAM1 P19320 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
GAA P10253 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GFER P55789 1/20 0.38
TSHR P16473 2/20 0.36
SLC7A5 Q01650 1/20 0.34
NR1H4 Q96RI1 2/20 0.34
HPGD P15428 1/20 0.33
PDK2 Q15119 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
EPHX2 P34913 1/20 0.33
TP53 P04637 1/20 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
SCHEMBL13170231 0.85 GAA (0.47) VCAM1SMN1; SMN2LMNAGAAALDH1A1
SCHEMBL13148462 0.82 HSP90AB1 (0.45) HSP90AB1VCAM1SMN1; SMN2MAPTLMNA
SCHEMBL6858351 0.79 HSP90AB1 (0.59) HSP90AB1VCAM1MAPTLMNAGAA
SCHEMBL7934385 0.74 PGK1 (0.43) MAPTGAAALDH1A1TSHR
SCHEMBL8395621 0.73 HSP90AB1 (0.42) HSP90AB1VCAM1SMN1; SMN2MAPTLMNA
SCHEMBL20599348 0.73 HSP90AB1 (0.42) HSP90AB1VCAM1SMN1; SMN2MAPTLMNA
SCHEMBL20599232 0.73 HSP90AB1 (0.51) HSP90AB1VCAM1SMN1; SMN2MAPTLMNA
SCHEMBL8395631 0.72 HSP90AB1 (0.41) HSP90AB1VCAM1SMN1; SMN2MAPTLMNA
SCHEMBL20598923 0.72 ALDH1A1 (0.62) HSP90AB1SMN1; SMN2MAPTLMNACYP4F2
SCHEMBL21891794 0.72 HSP90AB1 (0.75) HSP90AB1SMN1; SMN2MAPTLMNACYP4F2

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-8440281-B2 Stabilized blends of polyester and polyamide BASF SE (DE) 2013-05-14 US disclosed
US-8440281-B2 Stabilized blends of polyester and polyamide BASF SE (DE) 2013-05-14 US disclosed
US-20100233405-A1 Stabilized Blends of Polyester and Polyamide CIBA CORPORATION (US) 2010-09-16 US disclosed