SCHEMBL7499690

SCHEMBL7499690

CC(=O)c1cc(C2CCCCC2)ccc1O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 2/20 0.73
QDPR P09417 4/20 0.49
HDAC8 Q9BY41 3/20 0.46
HDAC4 P56524 1/20 0.46
HDAC2 Q92769 1/20 0.46
KMO O15229 1/20 0.45
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
DEGS1 O15121 1/20 0.43
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL11108930 0.87 ACMSD (0.59) ACMSDQDPRHDAC8HDAC4HDAC2
SCHEMBL27965931 0.85 ACMSD (1.00) ACMSDHDAC8HDAC4HDAC2KMO
SCHEMBL2533359 0.85 ACMSD (1.00) ACMSDHDAC8HDAC4HDAC2KMO
SCHEMBL7147506 0.84 ACMSD (0.54) ACMSDQDPRHDAC8HDAC4HDAC2
SCHEMBL11325708 0.82 ACMSD (0.71) ACMSDHDAC8HDAC4HDAC2KMO
SCHEMBL11312879 0.82 ACMSD (0.71) ACMSDHDAC8HDAC4HDAC2KMO
SCHEMBL1415417 0.80 ACMSD (0.51) ACMSDQDPRKMT2A
SCHEMBL10886997 0.80 ACMSD (0.68) ACMSDQDPRHDAC8HDAC4HDAC2
SCHEMBL24605452 0.79 ACMSD (0.69) ACMSDQDPRHDAC8HDAC4HDAC2
SCHEMBL8470022 0.79 ACMSD (0.50) ACMSDHDAC8KMOCYP2D6DEGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0924202-B1 Imidazole derivative and medicine comprising the same as active ingredient SSP CO LTD (JP) 2002-05-29 EP disclosed
US-6071943-A IMMUNOMODULATORS WHICH SUPPRESS SPECIFIC CYTOKINES, FOR AUTOIMMUNE DISEASES SSP CO. LTD. (JP) 2000-06-06 US disclosed
EP-0924202-A1 Imidazole derivative and medicine comprising the same as active ingredient SSP Co., Ltd. (JP) 1999-06-23 EP disclosed
US-RE32196-E PROPHYLACTIC CHEMOTHERAPY OF ALLERGIC CONDITIONS LILLY INDUSTRIES LIMITED (GB) 1986-07-01 US disclosed
US-4281012-A HYPOLIPEMIC ACTIVITY ROUSSEL UCLAF (FR) 1981-07-28 US disclosed
US-4259340-A PROPHYLACTIC CHEMOTHERAPY OF ALLERGIC CONDITIONS SUCH AS ASTHMA LILLY INDUSTRIES LIMITED (GB) 1981-03-31 US disclosed