SCHEMBL3675012

SCHEMBL3675012

O=C1C=C(c2ccc(Oc3ccccc3)cc2)C(=O)N1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.49
MAOA P21397 3/20 0.47
MAOB P27338 3/20 0.47
NPC1 O15118 2/20 0.44
AKR1B1 P15121 1/20 0.43
HPGD P15428 1/20 0.43
GPR84 Q9NQS5 1/20 0.42
MMP3 P08254 2/20 0.41
MMP13 P45452 2/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
NTRK1 P04629 1/20 0.41
IGF1R P08069 1/20 0.41
FGFR1 P11362 1/20 0.41
NTRK3 Q16288 1/20 0.41
NTRK2 Q16620 1/20 0.41
LTA4H P09960 3/20 0.41
TSHR P16473 1/20 0.41
IDH1 O75874 1/20 0.41

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
SCHEMBL30824762 0.93 MAOA (0.40) GSTP1MAOAMAOBNPC1AKR1B1
SCHEMBL9797191 0.93 MAOA (0.40) GSTP1MAOAMAOBNPC1AKR1B1
SCHEMBL28438497 0.83 HSD17B3 (0.47) MAOAMAOBIDH1BACE1
SCHEMBL41940 0.83 BACE1 (0.46) MAOAMAOBHPGDBACE1
Benzene SCHEMBL29048034 0.83 BACE1 (0.46) MAOAMAOBHPGDBACE1
SCHEMBL30824732 0.82 SRD5A2 (0.44) HPGDTSHRRAB9A
SCHEMBL29396532 0.82 HTT (0.41) MAOAMAOBNPC1TSHRRAB9A
SCHEMBL30932196 0.82 MAOA (0.45) GSTP1MAOAMAOBXDH
Hydrogen Sulfide SCHEMBL28559443 0.82 HSD17B3 (0.46) MAOAMAOBIDH1BACE1
SCHEMBL15841339 0.81 BACE1 (0.45) MAOAMAOBHPGDBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825188-B2 Thermoplastic elastomer with acyloxyphenyl hard block segment DESIGNER MOLECULES, INC. (US) 2010-11-02 US claimed
WO-2008077141-A1 RUBBER EPOXY CURATIVES AND METHODS FOR USE THEREOF DESIGNER MOLECULES, INC. (US) 2008-06-26 WO claimed
US-20080146738-A1 RUBBER EPOXY CURATIVES AND METHODS FOR USE THEREOF DESIGNER MOLECULES, INC. 2008-06-19 US claimed
US-7825188-B2 Thermoplastic elastomer with acyloxyphenyl hard block segment DESIGNER MOLECULES, INC. (US) 2010-11-02 US disclosed
WO-2008077141-A1 RUBBER EPOXY CURATIVES AND METHODS FOR USE THEREOF DESIGNER MOLECULES, INC. (US) 2008-06-26 WO disclosed
US-20080146738-A1 RUBBER EPOXY CURATIVES AND METHODS FOR USE THEREOF DESIGNER MOLECULES, INC. 2008-06-19 US disclosed
US-4812244-A SULFONATED STYRENE-MALEIMIDE COPOLYMER, SODIUM ACRYLATE-METHACRYLATE COPOLYMER PONY INDUSTRIES, INC. (US) 1989-03-14 US disclosed
EP-0304174-A2 Bismaleimide compositions IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-02-22 EP disclosed
US-4797450-A PHENYLMALEIMIDES WITH STYRENE FOLLOWED BY SULFONATION ARCO CHEMICAL COMPANY (US) 1989-01-10 US disclosed
EP-0274203-A2 Oligomers with pendant maleimide groups IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-07-13 EP disclosed
EP-0143508-A2 Additive for water-base drilling fluid and process ATLANTIC RICHFIELD COMPANY (US) 1985-06-05 EP disclosed