SCHEMBL11250780

SCHEMBL11250780

O=C(CCl)CCCCc1ccc(CCCCC(=O)CCl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 6/20 0.50
▸ HDAC2 Q92769 5/20 0.50
▸ HDAC3 O15379 2/20 0.50
▸ HDAC4 P56524 2/20 0.50
▸ HDAC7 Q8WUI4 2/20 0.50
▸ HDAC10 Q969S8 2/20 0.50
▸ HDAC11 Q96DB2 2/20 0.50
▸ HDAC8 Q9BY41 2/20 0.50
▸ HDAC6 Q9UBN7 2/20 0.50
▸ HDAC9 Q9UKV0 2/20 0.50
▸ HDAC5 Q9UQL6 2/20 0.50
▸ THRA P10827 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ MAPT P10636 2/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.48
▸ PLAAT3 P53816 1/20 0.43
▸ PLAAT5 Q96KN8 1/20 0.43
▸ PLAAT2 Q9NWW9 1/20 0.43
▸ PLAAT4 Q9UL19 1/20 0.43
▸ FAAH O00519 1/20 0.43

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 0.93 HDAC1 (0.48) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL16386431 0.84 LMNA (0.50) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL8187637 0.83 HDAC1 (0.64) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL8171842 0.79 HDAC3 (0.66) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL11176136 0.77 PLAAT3 (0.50) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL9679405 0.77 HDAC1 (0.49) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL13443080 0.76 MAPT (0.61) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL4886613 0.76 MAPT (0.73) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL6261613 0.75 FAAH (0.58) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL11178054 0.75 FFAR1 (0.47) PLAAT3PLAAT5PLAAT2PLAAT4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0026846-B1 SUBSTITUTED FULVALENOPHANE DERIVATIVES, THEIR PREPARATION AND THEIR USE BASF Aktiengesellschaft (DE) 1982-06-23 — — EP disclosed
US-4298751-A Cyclically substituted fulvalenophanes BASF AKTIENGESELLSCHAFT (DE) 1981-11-03 — — US disclosed
EP-0026846-A1 Substituted fulvalenophane derivatives, their preparation and their use BASF Aktiengesellschaft (DE) 1981-04-15 — — EP disclosed
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