SCHEMBL9220151

SCHEMBL9220151

C=C(C)c1ccc(C(CC)CN=C=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
ESR1 P03372 2/20 0.33
ESR2 Q92731 1/20 0.33
CCR5 P51681 1/20 0.31
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
PGR P06401 1/20 0.30
CHRM2 P08172 1/20 0.30
CYP3A4 P08684 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
AR P10275 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
CHRM1 P11229 1/20 0.30
CYP2C9 P11712 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL9221614 0.84 HDAC8 (0.40) HDAC8HDAC6ADRA2AADRA2BADRA2C
SCHEMBL8091278 0.81 MIF (0.45)
SCHEMBL9178584 0.76 CYP3A4 (0.43) HDAC8HDAC6ADRA2AADRA2BADRA2C
SCHEMBL21465722 0.75 FFAR1 (0.48) CYP1A2CYP2D6MAPTPTGS1CYP2C19
SCHEMBL8932369 0.75 MIF (0.40) HDAC8HDAC6ESR1LMNACYP1A2
SCHEMBL9221775 0.71 LTB4R (0.31)
SCHEMBL6568210 0.70 TRPA1 (0.36) LMNACYP3A4MAPTTDP1
SCHEMBL5411169 0.69 MIF (0.35)
SCHEMBL2860264 0.68 GBA1 (0.43) HDAC8LMNACYP3A4MAPTPTGS1
SCHEMBL23701495 0.68 TSHR (0.46) HDAC8ESR1LMNACYP1A2PGR

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-8546485-B2 Photocurable dicing die bonding tape HENKEL CORPORATION (US) 2013-10-01 US disclosed
US-20130178585-A1 PHOTOCURABLE DICING DIE BONDING TAPE HENKEL CORPORATION (US) 2013-07-11 US disclosed
WO-1995000573-A1 REACTIVE POLYMERS HAVING PENDANT FLEXIBLE SIDE CHAINS PREPARED FROM ETHYLENICALLY UNSATURATED ISOCYANATES UNION CARBIDE CHEMICALS & PLASTICS (US) 1995-01-05 WO disclosed