SCHEMBL8187637

SCHEMBL8187637

O=C(CCl)CCCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 4/20 0.64
▸ HDAC3 O15379 3/20 0.64
▸ HDAC2 Q92769 3/20 0.64
▸ HDAC8 Q9BY41 3/20 0.64
▸ HDAC6 Q9UBN7 3/20 0.64
▸ HDAC5 Q9UQL6 3/20 0.64
▸ HDAC4 P56524 2/20 0.64
▸ HDAC7 Q8WUI4 2/20 0.64
▸ HDAC10 Q969S8 2/20 0.64
▸ HDAC11 Q96DB2 2/20 0.64
▸ HDAC9 Q9UKV0 2/20 0.64
▸ MAPK1 P28482 1/20 0.64
▸ ADRA1A P35348 1/20 0.64
▸ SLC6A3 Q01959 1/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.64
▸ NPC1 O15118 2/20 0.58
▸ RAB9A P51151 2/20 0.58
▸ TDP1 Q9NUW8 2/20 0.58
▸ CASP3 P42574 1/20 0.58
▸ SENP8 Q96LD8 1/20 0.58

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
SCHEMBL11298948 0.90 HDAC1 (0.48) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL1371070 0.88 KEAP1 (0.61) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL5674267 0.87 HDAC1 (0.75) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL13089543 0.85 HDAC1 (0.60) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL11250780 0.83 HDAC1 (0.50) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL27831457 0.83 HDAC1 (0.69) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL19561359 0.83 HDAC1 (0.69) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL9404033 0.83 HDAC1 (0.69) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL8664876 0.82 HDAC1 (0.67) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL4886613 0.81 MAPT (0.73) HDAC1HDAC3HDAC2HDAC8HDAC6

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
US-6040289-A ACTIVE DRUG TREATING OBESITY DR. KARL THOMAE GMBH (DE) 2000-03-21 — — US disclosed
EP-0865426-A1 AMINO ACID DERIVATIVES, MEDICAMENTS CONTAINING SAID COMPOUNDS AND METHODS OF PRODUCING SAID COMPOUNDS Dr. Karl Thomae GmbH (DE) 1998-09-23 — — EP disclosed
WO-1997019914-A1 AMINO ACID DERIVATIVES, MEDICAMENTS CONTAINING SAID COMPOUNDS AND METHODS OF PRODUCING SAID COMPOUNDS DR. KARL THOMAE GMBH (DE) 1997-06-05 — — WO disclosed
US-4325967-A Cyclopentane derivatives MAY & BAKER LIMITED (GB) 1982-04-20 — — US disclosed
US-4183870-A Cyclopentane derivatives MAY & BAKER LIMITED (GB) 1980-01-15 — — US disclosed
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