SCHEMBL10926032

SCHEMBL10926032

COc1ccc(OC)c(-c2ccc3c(c2)NCC3)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP2 O95551 1/20 0.53
▸ SYK P43405 4/20 0.48
▸ AURKB Q96GD4 2/20 0.48
▸ INCENP Q9NQS7 2/20 0.48
▸ DHFR P00374 1/20 0.45
▸ HDAC4 P56524 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ S1PR1 P21453 1/20 0.41
▸ TLR9 Q9NR96 1/20 0.41
▸ TLR8 Q9NR97 1/20 0.41
▸ TLR7 Q9NYK1 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ CD274 Q9NZQ7 1/20 0.41
▸ ABCB1 P08183 1/20 0.41
▸ HTR2A P28223 1/20 0.40
▸ HTR2C P28335 1/20 0.40

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
SCHEMBL10922053 0.83 CHEK1 (0.50) DHFRALDH1A1CD274HTR2CCYP1A2
SCHEMBL30025932 0.82 HTR2C (0.50) KDM4EALDH1A1HPGDHTR2AHTR2C
SCHEMBL550150 0.82 HTR2C (0.50) KDM4EALDH1A1HPGDHTR2AHTR2C
SCHEMBL10711490 0.76 TDP2 (0.75) TDP2DHFRHDAC4HDAC2HDAC8
SCHEMBL29899709 0.75 CA12 (0.60) TDP2SYKDHFRHDAC4HDAC2
Acetic Acid SCHEMBL10992625 0.74 CPS1 (0.48) KDM4EHTR2AHTR2CHTR2BMAPKAPK2
SCHEMBL8503322 0.73 CA12 (0.65) TDP2SYKDHFRHDAC4HDAC2
SCHEMBL6163752 0.73 KDM4E (0.60) TDP2SYKDHFRHDAC4HDAC2
SCHEMBL1395133 0.72 HRH3 (0.52) TLR9TLR8TLR7HTR2AHTR2C
SCHEMBL30471897 0.72 HRH3 (0.52) TLR9TLR8TLR7HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0089426-B1 2-AMINO-6-BIPHENYLACETIC ACIDS A.H. ROBINS COMPANY, INCORPORATED (US) 1986-06-11 — — EP disclosed
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