SCHEMBL9664624

SCHEMBL9664624

CCCCOc1ccc(CCCCCCCCC(=O)NO)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.67
HDAC10 Q969S8 3/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
KDM4E B2RXH2 1/20 0.67
CYP1A2 P05177 1/20 0.67
CYP2D6 P10635 1/20 0.67
PDE4A P27815 1/20 0.67
HIF1A Q16665 1/20 0.67
MMP1 P03956 2/20 0.62
HDAC1 Q13547 9/20 0.60
HDAC2 Q92769 6/20 0.60
ALOX5 P09917 1/20 0.59
HDAC3 O15379 3/20 0.58
HDAC4 P56524 2/20 0.58
HDAC7 Q8WUI4 2/20 0.58
HDAC11 Q96DB2 2/20 0.58
HDAC8 Q9BY41 2/20 0.58
HDAC9 Q9UKV0 2/20 0.58
HDAC5 Q9UQL6 2/20 0.58
ESR1 P03372 1/20 0.57

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
SCHEMBL9663996 0.97 HDAC6 (0.63) HDAC6HDAC10SMN1; SMN2KDM4ECYP1A2
SCHEMBL18256364 0.85 HDAC10 (0.70) HDAC6HDAC10SMN1; SMN2KDM4ECYP1A2
SCHEMBL7049282 0.84 HDAC10 (0.61) HDAC6HDAC10SMN1; SMN2KDM4ECYP1A2
SCHEMBL7995339 0.84 LMNA (0.69) SMN1; SMN2MEN1USP2ALDH1A1LMNA
SCHEMBL9663920 0.84 LMNA (0.69) SMN1; SMN2MEN1USP2ALDH1A1LMNA
SCHEMBL8001563 0.84 LMNA (0.69) SMN1; SMN2MEN1USP2ALDH1A1LMNA
SCHEMBL9663885 0.84 HDAC1 (0.70) HDAC6HDAC10HDAC1HDAC2ALOX5
SCHEMBL9662610 0.82 LMNA (0.57) HDAC6HDAC10SMN1; SMN2KDM4ECYP1A2
SCHEMBL7995811 0.82 LMNA (0.71) SMN1; SMN2MEN1USP2ALDH1A1LMNA
SCHEMBL29016749 0.82 HDAC1 (0.68) HDAC6HDAC10HDAC1HDAC2ALOX5

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-0273451-B1 LIPOXYGENASE INHIBITORY COMPOUNDS Bristol-Myers Squibb Company (US) 1992-04-01 EP disclosed
US-4861798-A Lipoxygenase inhibitory compounds BRISTOL-MYERS COMPANY (US) 1989-08-29 US disclosed
EP-0273451-A2 Lipoxygenase inhibitory compounds Bristol-Myers Squibb Company (US) 1988-07-06 EP disclosed