SCHEMBL8989017

SCHEMBL8989017

COC(=O)C(C=C(CBr)CCCCN(C=O)OCc1ccccc1)NC=O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
CCR6 P51684 1/20 0.33
PAX8 Q06710 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
MBOAT4 Q96T53 1/20 0.33
CTSB P07858 2/20 0.32
HTT P42858 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
NCOR2 Q9Y618 1/20 0.32

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
SCHEMBL8989164 0.92 BCHE (0.34) CCR6PAX8L3MBTL1MBOAT4HDAC3
SCHEMBL8988912 0.85 TSHR (0.32) TSHRCCR6PAX8MBOAT4CTSB
SCHEMBL8989010 0.80 HTT (0.53) HTT
SCHEMBL8989003 0.80 HTT (0.53) HTT
SCHEMBL8989027 0.78 HSD17B10 (0.33) L3MBTL1MBOAT4CTSB
SCHEMBL8989019 0.77 TSHR (0.36) TSHRCCR6PAX8L3MBTL1CTSB
SCHEMBL8622951 0.76 ALOX5 (0.48) CCR6PAX8L3MBTL1HTTHDAC3
SCHEMBL8618140 0.76 KMT2A (0.39) CCR6PAX8HDAC3HDAC1HDAC2
SCHEMBL9879981 0.75 MAPT (0.49) CCR6PAX8L3MBTL1HTTHDAC3
SCHEMBL6618522 0.75 MAPT (0.49) CCR6PAX8L3MBTL1HTTHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5488140-A ANTICONVULSANTS CIBA-GEIGY CORPORATION (US) 1996-01-30 US disclosed
US-5294734-A 1-phosphato-4-amino-pent-2-enoic acids and derivatives CIBA-GEIGY CORP. (US) 1994-03-15 US disclosed