SCHEMBL27664477

SCHEMBL27664477

Oc1cccc2c1CC=C2.[H+]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.38
BAD Q92934 1/20 0.38
ALDH1A1 P00352 4/20 0.35
ALOX15 P16050 4/20 0.35
HSD17B10 Q99714 4/20 0.35
TDP1 Q9NUW8 4/20 0.35
LMNA P02545 3/20 0.35
HPGD P15428 3/20 0.35
EGFR P00533 2/20 0.35
CA2 P00918 2/20 0.35
FYN P06241 2/20 0.35
MMP9 P14780 2/20 0.35
RECQL P46063 2/20 0.35
ADAMTS4 O75173 1/20 0.35
CA1 P00915 1/20 0.35
MMP2 P08253 1/20 0.35
MMP8 P22894 1/20 0.35
CA6 P23280 1/20 0.35
CDK2 P24941 1/20 0.35
MMP12 P39900 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
SCHEMBL276579 0.98 BCL2L1 (0.39) BCL2L1BADALDH1A1ALOX15HSD17B10
SCHEMBL9304448 0.77 BCL2L1 (0.36) BCL2L1BADALDH1A1ALOX15HSD17B10
SCHEMBL6749423 0.77 BCL2L1 (0.41) BCL2L1BADALDH1A1ALOX15HSD17B10
SCHEMBL29503115 0.74 CDK2 (0.36) ALDH1A1HSD17B10HPGDCDK2CYP3A4
SCHEMBL276578 0.73 SLC6A2 (0.35) SLC6A2HTR2ASLC6A4HRH1OPRD1
SCHEMBL972273 0.72 ALDH1A1 (0.35) ALDH1A1ALOX15HSD17B10TDP1LMNA
SCHEMBL3784850 0.71 CYP1A2 (0.35) ALDH1A1TDP1LMNARECQLSLC6A2
SCHEMBL11662214 0.71 CYP3A4 (0.35) ALDH1A1ALOX15HSD17B10TDP1HPGD
SCHEMBL8765141 0.71 SLC6A2 (0.34) SLC6A2HTR2ASLC6A4HRH1OPRD1
SCHEMBL2974474 0.71 TRPA1 (0.36) SLC6A2HTR2ASLC6A4HRH1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101287705-A Synthesis of 1 alpha-fluoro-25-hydroxy-16-23E-diene-26, 27-bishomo-20-epi-cholecalciferol BIOXELL SPA (IT) 2008-10-15 CN claimed
CN-101522199-A Novel method of treatment of male sub-fertility BIOXELL SPA (IT) 2009-09-02 CN disclosed
CN-101287705-A Synthesis of 1 alpha-fluoro-25-hydroxy-16-23E-diene-26, 27-bishomo-20-epi-cholecalciferol BIOXELL SPA (IT) 2008-10-15 CN disclosed
CN-1953752-A Treatment of interstitial cystitis with vitamin D compounds BIOXELL SPA (IT) 2007-04-25 CN disclosed
CN-1886140-A Methods for treating bladder dysfunction BIOXELL SPA (IT) 2006-12-27 CN disclosed