SCHEMBL8765449

SCHEMBL8765449

C=CC(=O)NC(Cc1ccccc1)C(C)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.53
MMP3 P08254 1/20 0.53
MMP7 P09237 1/20 0.53
ALDH1A1 P00352 3/20 0.51
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
POLB P06746 1/20 0.47
ALOX15 P16050 1/20 0.47
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
PAM P19021 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CTRB1 P17538 2/20 0.45
NOS2 P35228 3/20 0.45
NOS3 P29474 2/20 0.45
NOS1 P29475 2/20 0.45
PPARG P37231 1/20 0.45

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
SCHEMBL23489850 1.00 MMP2 (0.53) MMP2MMP3MMP7ALDH1A1CYP3A4
SCHEMBL8373360 0.88 HPGDS (0.50) MMP2MMP3MMP7PPARG
SCHEMBL8373361 0.88 HPGDS (0.50) MMP2MMP3MMP7PPARG
SCHEMBL1135183 0.87 MME (0.58) NOS2
SCHEMBL29214532 0.87 MME (0.58) NOS2
SCHEMBL1135185 0.87 MME (0.58) NOS2
SCHEMBL9088879 0.85 ATM (0.62) ALDH1A1CYP2C9CYP2C19POLBRAB9A
SCHEMBL7898727 0.85 ATM (0.62) ALDH1A1CYP2C9CYP2C19POLBRAB9A
SCHEMBL25003474 0.85 TAAR1 (0.48) MMP2MMP3MMP7ALDH1A1CYP3A4
SCHEMBL12206033 0.83 TACR1 (0.49) ALDH1A1CYP2C9CYP2C19POLBALOX15

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
EP-0505972-B1 Process for producing styrenic copolymer IDEMITSU KOSAN CO (JP) 1997-06-11 EP disclosed
EP-0490269-B1 Graft copolymer and process for producing the same IDEMITSU KOSAN CO (JP) 1996-02-28 EP disclosed
US-5250629-A Graft polymerization of styrene and ethylenically unsaturated monomer using transition metal catalysts, organoaluminum compounds; films, packaging, automobile parts IDEMITSU KOSAN CO., LTD. (JP) 1993-10-05 US disclosed
EP-0505972-A2 Process for producing styrenic copolymer IDEMITSU KOSAN COMPANY LIMITED (JP) 1992-09-30 EP disclosed
EP-0490269-A1 Graft copolymer and process for producing the same IDEMITSU KOSAN COMPANY LIMITED (JP) 1992-06-17 EP disclosed