SCHEMBL2472015

SCHEMBL2472015

O=C([O-])C1CCCCC1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.46
LMNA P02545 1/20 0.40
POLB P06746 2/20 0.40
ELANE P08246 1/20 0.40
GAA P10253 1/20 0.39
CETP P11597 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
CYP2C19 P33261 2/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
EPHX2 P34913 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
SRD5A2 P31213 1/20 0.38
BCHE P06276 1/20 0.37

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
SCHEMBL2471449 0.88 HPGD (0.39) HPGDLMNAPOLBGAAALDH1A1
SCHEMBL2472713 0.83 CA2 (0.35) HPGDPOLBGAAALDH1A1SMN1; SMN2
SCHEMBL4964276 0.79 RAB9A (0.50) HPGDLMNAGAACYP2C19ALDH1A1
Bicarbonate SCHEMBL105290 0.76 CA2 (0.46) HPGDLMNAPOLBHDAC3HDAC1
Bicarbonate SCHEMBL105292 0.76 CA2 (0.46) HPGDLMNAPOLBHDAC3HDAC1
Oxalic Acid SCHEMBL105013 0.74 CA4 (0.44) HPGDLMNAPOLBGAACYP2C19
Acetic Acid SCHEMBL106040 0.74 CA2 (0.44) POLBGAAALDH1A1SMN1; SMN2
SCHEMBL23530251 0.73 CES2 (0.55) ALDH1A1NPC1EPHX2RAB9ASMN1; SMN2
SCHEMBL5079485 0.73 CES2 (0.55) ALDH1A1NPC1EPHX2RAB9ASMN1; SMN2
SCHEMBL11608975 0.73 CES2 (0.55) ALDH1A1NPC1EPHX2RAB9ASMN1; SMN2

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
EP-2370859-A2 A PHOTOSENSITIVE COMPOSITION AZ Electronic Materials USA Corp. (US) 2011-10-05 EP disclosed
WO-2010064135-A2 A PHOTOSENSITIVE COMPOSITION AZ ELECTRONIC MATERIALS USA CORP. (US) 2010-06-10 WO disclosed
US-20100136477-A1 Photosensitive Composition AZ ELECTRONIC MATERIALS USA CORP. 2010-06-03 US disclosed