SCHEMBL6661937

SCHEMBL6661937

CCCCCCCCB(c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 1/20 0.53
DNM1 Q05193 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPK1 P28482 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
HTT P42858 3/20 0.42
LIPG Q9Y5X9 3/20 0.41
LPL P06858 2/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
KCNH2 Q12809 2/20 0.40
MLNR O43193 1/20 0.40
NR1I2 O75469 1/20 0.40
ESR1 P03372 1/20 0.40
NR3C1 P04150 1/20 0.40
PGR P06401 1/20 0.40

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
SCHEMBL23367835 1.00 PCSK9 (0.53) PCSK9DNM1MEN1KMT2AMAPK1
SCHEMBL5802656 1.00 PCSK9 (0.53) PCSK9DNM1MEN1KMT2AMAPK1
SCHEMBL5710442 0.98 PCSK9 (0.55) PCSK9DNM1MEN1KMT2AMAPK1
Water SCHEMBL6656586 0.96 PCSK9 (0.50) PCSK9DNM1MEN1KMT2AMAPK1
SCHEMBL6663731 0.91 PCSK9 (0.63) PCSK9DNM1MEN1KMT2AMAPK1
SCHEMBL14085646 0.80 PCSK9 (0.52) PCSK9KMT2AMAPK1SMN1; SMN2TP53
SCHEMBL29022390 0.80 PCSK9 (0.55) PCSK9DNM1MEN1KMT2AMAPK1
Tetrabuthylammonium SCHEMBL5468630 0.80 LPL (0.45) PCSK9DNM1MEN1KMT2AMAPK1
SCHEMBL9189726 0.79 PCSK9 (0.50) PCSK9DNM1MEN1KMT2AMAPK1
SCHEMBL6128348 0.79 PSMD14 (0.42) LIPGLPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1086996-B1 Resin for use in an antifouling coating and antifouling coating NIPPON PAINT CO LTD (JP) 2004-07-28 EP disclosed
US-6462102-B1 POLYMER FROM UNSATURATED MONOMERS HAVING SIDE CHAIN GROUPS CONTAINING TRISUBSTITUTED BORANE AMINES AND/OR 2-PYRIDINE-THIOL METAL AMINES; LOW TOXICITY; SUSTAINED RELEASE NIPPON PAINT CO., LTD. (JP) 2002-10-08 US disclosed
EP-1086996-A1 Resin for use in an antifouling coating and antifouling coating Nippon Paint Co., Ltd. (JP) 2001-03-28 EP disclosed