SCHEMBL18265693

SCHEMBL18265693

CCCCB(c1ccc(Br)cc1)c1ccc(Br)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 1/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
TSHR P16473 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 1/20 0.38
HDAC3 O15379 3/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC2 Q92769 3/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
NPC1 O15118 1/20 0.35
NFKB1 P19838 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 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
SCHEMBL18265692 0.78 SMN1; SMN2 (0.40) PCSK9CA1CA2LMNAHDAC3
SCHEMBL18265694 0.78 PCSK9 (0.39) PCSK9CA1CA2HDAC8LPL
SCHEMBL6663731 0.77 PCSK9 (0.63) PCSK9MAPK1SMN1; SMN2LPLLIPG
SCHEMBL14085646 0.72 PCSK9 (0.52) PCSK9TSHRHDAC3HDAC1HDAC2
SCHEMBL5710442 0.71 PCSK9 (0.55) PCSK9CYP1A2CYP2D6CYP2C19MAPK1
SCHEMBL6128348 0.71 PSMD14 (0.42) CA1CA2HDAC3HDAC1HDAC2
SCHEMBL16667265 0.71 SMN1; SMN2 (0.42) SMN1; SMN2LPLLIPGMGLLTRPV1
SCHEMBL23367835 0.70 PCSK9 (0.53) PCSK9CYP1A2CYP2D6CYP2C19LMNA
SCHEMBL6661937 0.70 PCSK9 (0.53) PCSK9CYP1A2CYP2D6CYP2C19LMNA
SCHEMBL5802656 0.70 PCSK9 (0.53) PCSK9CYP1A2CYP2D6CYP2C19LMNA

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
EP-3098226-A1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR Wako Pure Chemical Industries, Ltd. (JP) 2016-11-30 EP disclosed