SCHEMBL7845649

SCHEMBL7845649

C=CCOc1ccc2c(ccc(=O)n2CC=C(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.44
CA1 P00915 4/20 0.44
CA9 Q16790 4/20 0.44
KDM4E B2RXH2 4/20 0.44
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
ALDH1A1 P00352 4/20 0.43
MTNR1A P48039 3/20 0.43
ALOX15 P16050 4/20 0.39
CASR P41180 1/20 0.38
HPGD P15428 3/20 0.38
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
NDUFS8 O00217 1/20 0.38
COXFA4 O00483 1/20 0.38
NDUFAB1 O14561 1/20 0.38
NDUFA1 O15239 1/20 0.38
NDUFS4 O43181 1/20 0.38
NDUFB5 O43674 1/20 0.38
NDUFB3 O43676 1/20 0.38

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
SCHEMBL7851690 0.92 KDM4E (0.43) CA12CA1CA9KDM4EPOLB
SCHEMBL7852404 0.87 CA12 (0.50) CA12CA1CA9KDM4EPOLB
SCHEMBL18264075 0.76 CA12 (0.47) CA12CA1CA9KDM4EPOLB
SCHEMBL11062043 0.73 PDE3B (0.46) KDM4E
SCHEMBL3825460 0.71 CA12 (0.64) CA12CA1CA9ALDH1A1MTNR1A
SCHEMBL2797929 0.69 KMT2A (0.48) ALDH1A1MTNR1AHPGDMAPTTDP1
SCHEMBL26208699 0.68 NPC1 (0.51) CA12CA1CA9KDM4EALDH1A1
SCHEMBL3823460 0.68 CA12 (0.60) CA12CA1CA9KDM4EALDH1A1
SCHEMBL7854131 0.68 ADRA2A (0.41) CA12CA1CA9KDM4EPOLB
SCHEMBL7852544 0.68 ADRA2A (0.41)

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-0719258-B1 CYCLIC AMIDE DERIVATIVES FOR PROTECTING AGAINST ULTRAVIOLET RAYS OTSUKA PHARMA CO LTD (JP) 2001-10-31 EP disclosed
US-5786367-A OXYGEN SCAVENGERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-07-28 US disclosed
EP-0719258-A1 CYCLIC AMIDE DERIVATIVES FOR PROTECTING AGAINST ULTRAVIOLET RAYS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-07-03 EP disclosed
WO-1996002508-A1 CYCLIC AMIDE DERIVATIVES FOR PROTECTING AGAINST ULTRAVIOLET RAYS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-02-01 WO disclosed