SCHEMBL2885668

SCHEMBL2885668

CCc1cccc2c1C(c1ccccc1)c1ccccc1O2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.45
CYP2C9 P11712 1/20 0.43
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41
USP2 O75604 1/20 0.41
MAOA P21397 2/20 0.40
NPSR1 Q6W5P4 2/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.39
ATM Q13315 1/20 0.39
MAPT P10636 4/20 0.39
LMNA P02545 3/20 0.39
MAOB P27338 1/20 0.37
GRM2 Q14416 1/20 0.37
GRM8 O00222 1/20 0.37
GRM7 Q14831 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PKM P14618 1/20 0.37
MAPK1 P28482 1/20 0.36

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
SCHEMBL2124307 0.86 HTT (0.46) HTTCYP2C9KMT2AMEN1USP2
SCHEMBL2125823 0.86 HTT (0.46) HTTCYP2C9KMT2AMEN1USP2
SCHEMBL1423891 0.80 HTT (0.48) HTTCYP2C9KMT2AMEN1USP2
SCHEMBL5500670 0.78 MEN1 (0.41) HTTCYP2C9KMT2AMEN1USP2
SCHEMBL11781441 0.78 CYP2C9 (0.44) HTTCYP2C9KMT2AMEN1MAOA
SCHEMBL11855411 0.76 CYP2C9 (0.42) HTTCYP2C9KMT2AMEN1MAOA
SCHEMBL5475173 0.76 CYP2C9 (0.46) CYP2C9KMT2AMEN1MAOATSHR
SCHEMBL9407337 0.76 AHR (0.46) HTTCYP2C9KMT2AMEN1MAOA
SCHEMBL40368 0.76 CYP2C9 (0.55) HTTCYP2C9KMT2AMEN1USP2
SCHEMBL28256758 0.76 HTT (0.45) HTTKMT2AMEN1USP2MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2443483-B1 MULTI-ARMED MACROMONOMERS, POLYMERIC MATERIALS AND CONTACT LENSES COMPRISING SAME. BAUSCH & LOMB (US) 2016-03-23 EP disclosed
US-9285508-B2 Biomedical devices BAUSCH & LOMB INCORPORATED (US) 2016-03-15 US disclosed
WO-2010147865-A1 MULTI-ARMED MACROMONOMERS, POLYMERIC MATERIALS AND CONTACT LENSES COMPRISING SAME BAUSCH & LOMB INCORPORATED (US) 2010-12-23 WO disclosed
US-20100318185-A1 Biomedical Devices BAUSCH & LOMB INCORPORATED (US) 2010-12-16 US disclosed