SCHEMBL3309764

SCHEMBL3309764

COc1c(Br)cc2c(Br)c[nH]c2c1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.45
CA4 P22748 2/20 0.45
HPGD P15428 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CA1 P00915 1/20 0.35
CA6 P23280 1/20 0.35
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TPMT P51580 1/20 0.33
TSHR P16473 2/20 0.32
MTNR1A P48039 3/20 0.32
MTNR1B P49286 3/20 0.32
GPR35 Q9HC97 3/20 0.32
APOBEC3A P31941 1/20 0.32

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
SCHEMBL28426250 0.77 CA2 (0.58) CA2CA4HPGDALDH1A1CA1
SCHEMBL14411943 0.67 MTNR1A (0.49) MTNR1AMTNR1BNQO2
SCHEMBL9740762 0.67 CA2 (0.42) CA2CA4HPGDALDH1A1CA1
SCHEMBL24573233 0.66 PDE3B (0.33) ALDH1A1MTNR1AMTNR1BMAPT
SCHEMBL5376710 0.66 ALDH1A1 (0.48) ALDH1A1MTNR1AMTNR1BNQO2MAPT
SCHEMBL31359703 0.65 CA2 (0.36) CA2CA4HPGDALDH1A1GRIN2D
SCHEMBL19418758 0.65 ACHE (0.39) CA2CA4HPGDALDH1A1HSD17B10
SCHEMBL3155331 0.64 CA2 (0.54) CA2CA4CA1CA6TSHR
SCHEMBL29726739 0.64 CA2 (0.60) CA2CA4HPGDALDH1A1CA1
SCHEMBL9635966 0.64 CA2 (0.60) CA2CA4HPGDALDH1A1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100098788-A1 Extracts of Curcuma and Methods of Use Thereof HERBALSCIENCE GROUP, LLC 2010-04-22 US disclosed