SCHEMBL9003784

SCHEMBL9003784

c1ccc(-c2ccc(OCCCCC3=NCCO3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 4/20 0.60
▸ HDAC4 P56524 4/20 0.60
▸ HDAC1 Q13547 4/20 0.60
▸ HDAC7 Q8WUI4 4/20 0.60
▸ HDAC2 Q92769 4/20 0.60
▸ HDAC10 Q969S8 4/20 0.60
▸ HDAC11 Q96DB2 4/20 0.60
▸ HDAC8 Q9BY41 4/20 0.60
▸ HDAC6 Q9UBN7 4/20 0.60
▸ HDAC9 Q9UKV0 4/20 0.60
▸ HDAC5 Q9UQL6 4/20 0.60
▸ LSS P48449 1/20 0.47
▸ HRH3 Q9Y5N1 8/20 0.45
▸ KCNH2 Q12809 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ HRH4 Q9H3N8 1/20 0.44
▸ HRH1 P35367 1/20 0.43
▸ LTA4H P09960 2/20 0.41
▸ MAPK1 P28482 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
SCHEMBL9003746 0.88 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6664687 0.82 HDAC3 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7365575 0.76 HDAC1 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7363616 0.76 HDAC3 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9668080 0.73 HRH3 (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8379947 0.73 HDAC3 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL351887 0.73 ADRA2A (0.32) —
SCHEMBL7849175 0.72 MAOA (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL381129 0.71 ADRA2A (0.32) —
SCHEMBL10410293 0.71 ADRA2A (0.32) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5491201-A HEAT/CHEMICAL RESISTANCE; HIGH MECHANICAL STRENGTH THE DOW CHEMICAL COMPANY (US) 1996-02-13 — — US claimed
US-5338828-A Mesogenic cyclic imino ether-containing compositions and polymerization products thereof THE DOW CHEMICAL COMPANY (US) 1994-08-16 — — US claimed
US-5491201-A HEAT/CHEMICAL RESISTANCE; HIGH MECHANICAL STRENGTH THE DOW CHEMICAL COMPANY (US) 1996-02-13 — — US disclosed
US-5338828-A Mesogenic cyclic imino ether-containing compositions and polymerization products thereof THE DOW CHEMICAL COMPANY (US) 1994-08-16 — — US disclosed
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