SCHEMBL9705732

SCHEMBL9705732

Cc1cc(CCCCCOc2c(Cl)cc(C(=O)NCCCCl)cc2Cl)on1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
HSD17B10 Q99714 1/20 0.39
NR1I2 O75469 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
POLB P06746 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL9705981 0.96 HDAC6 (0.41) HDAC6HDAC4HDAC1HDAC7HDAC11
SCHEMBL9705803 0.91 NR1I2 (0.41) HDAC6HDAC4HDAC1HDAC7HDAC11
SCHEMBL9706267 0.89 KDM4E (0.41) HDAC6HDAC4HDAC1HDAC7HDAC11
SCHEMBL9705786 0.86 ALDH1A1 (0.43) HDAC6HDAC4HDAC1HDAC7HDAC11
SCHEMBL9201652 0.85 NR1I2 (0.39) HDAC6HDAC4HDAC1HDAC7HDAC11
SCHEMBL9705669 0.85 CYP2D6 (0.41) HDAC6HDAC4HDAC1HDAC7HDAC11
SCHEMBL9200429 0.85 PLAU (0.49) HDAC6NR1I2CYP3A4CYP2D6MEN1
SCHEMBL9862942 0.84 NR1I2 (0.40) HDAC6HDAC4HDAC1HDAC7HDAC11
SCHEMBL9863026 0.84 KMT2A (0.48) SMN1; SMN2MEN1KMT2APOLB
SCHEMBL9436198 0.84 LMNA (0.42) HDAC6HDAC4HDAC1HDAC7HDAC11

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
EP-0207454-B1 ISOXAZOLE AND FURAN DERIVATIVES, THEIR PREPARATION AND USE AS ANTIVIRAL AGENTS STERLING WINTHROP INC. (US) 1992-09-09 EP disclosed
US-5002960-A Viricides for combating picornaviruses STERLING DRUG, INC. (US) 1991-03-26 US disclosed
US-4939267-A Viricides STERLING DRUG INC. (US) 1990-07-03 US disclosed
US-4843087-A OXAZOLINYL COMPOUNDS; RHINOVIRUSES AND PICORNAVIRUSES STERLING DRUG INC. (US) 1989-06-27 US disclosed