SCHEMBL11318751

SCHEMBL11318751

C(=C/c1ccc(C2CCCCC2)cc1)\c1ccc(C2CCCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC1 Q13547 1/20 0.47
KMT2A Q03164 3/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
BLM P54132 1/20 0.46
GPR35 Q9HC97 1/20 0.46
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
NOTUM Q6P988 2/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
HSP90AA1 P07900 1/20 0.42
CYP11B2 P19099 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
SCHEMBL11318771 1.00 HDAC8 (0.47) HDAC8HDAC6HDAC1KMT2ARAB9A
SCHEMBL10492686 0.91 HDAC8 (0.44) HDAC8HDAC6HDAC1KMT2ARAB9A
SCHEMBL10128976 0.90 CYP19A1 (0.47) HDAC8HDAC6HDAC1KMT2ARAB9A
SCHEMBL13636754 0.88 KMT2A (0.40) HDAC8HDAC6HDAC1KMT2ARAB9A
SCHEMBL12292323 0.88 KMT2A (0.40) HDAC8HDAC6HDAC1KMT2ARAB9A
SCHEMBL4452066 0.86 HTT (0.43) HDAC8HDAC6HDAC1KMT2ARAB9A
SCHEMBL1305304 0.85 RELA (0.43) HDAC8HDAC6HDAC1KMT2ARAB9A
SCHEMBL1305302 0.85 RELA (0.43) HDAC8HDAC6HDAC1KMT2ARAB9A
SCHEMBL6275125 0.84 HDAC8 (0.52) HDAC8HDAC6HDAC1KMT2ARAB9A
SCHEMBL15260520 0.84 HDAC8 (0.52) HDAC8HDAC6HDAC1KMT2ARAB9A

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-4293717-A Process for preparing aldehydes and diols BAYER AKTIENGESELLSCHAFT (DE) 1981-10-06 US claimed
US-3972944-A BORON OXIDE, BORIC ACID OR BORATE AND VANADIUM OR MOLYBDENUM CONTAINING CATALYST BAYER AKTIENGESELLSCHAFT (DT) 1976-08-03 US disclosed