SCHEMBL6128348

SCHEMBL6128348

CCCCCCB(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 1/20 0.42
HSP90AA1 P07900 1/20 0.42
MMP2 P08253 1/20 0.42
MC4R P32245 1/20 0.42
RAD52 P43351 1/20 0.42
LPL P06858 4/20 0.39
LIPG Q9Y5X9 4/20 0.39
HTR7 P34969 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
MGLL Q99685 1/20 0.39
GAA P10253 1/20 0.38
ORAI1 Q96D31 1/20 0.37
ORAI2 Q96SN7 1/20 0.37
ORAI3 Q9BRQ5 1/20 0.37
TRPV6 Q9H1D0 1/20 0.37
KCNH3 Q9ULD8 1/20 0.35
HPGD P15428 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34

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
SCHEMBL14085646 0.85 PCSK9 (0.52) PSMD14HSP90AA1MMP2MC4RRAD52
SCHEMBL16667265 0.80 SMN1; SMN2 (0.42) LPLLIPGTRPV1MGLLGAA
SCHEMBL6661937 0.79 PCSK9 (0.53) LPLLIPG
SCHEMBL5802656 0.79 PCSK9 (0.53) LPLLIPG
SCHEMBL23367835 0.79 PCSK9 (0.53) LPLLIPG
SCHEMBL18202358 0.78 LIPG (0.45) PSMD14HSP90AA1MMP2MC4RRAD52
SCHEMBL5710442 0.77 PCSK9 (0.55) LPLLIPG
Water SCHEMBL6656586 0.76 PCSK9 (0.50) LPLLIPG
SCHEMBL18265693 0.71 PCSK9 (0.39) LPLLIPGTRPV1MGLLHDAC3
SCHEMBL18265694 0.71 PCSK9 (0.39) LPLLIPGTRPV1MGLLCA1

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-2450893-A1 Photopolymer formula for producing of holographic media with highly networked matrix polymers Bayer MaterialScience AG (DE) 2012-05-09 EP disclosed