SCHEMBL9946189

SCHEMBL9946189

CN(C)C(Cc1ccccc1)(Cc1ccccc1)C(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.52
LMNA P02545 1/20 0.52
NPC1 O15118 2/20 0.50
ALDH1A1 P00352 2/20 0.49
TMEM97 Q5BJF2 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
NR1H4 Q96RI1 6/20 0.46
ESRRG P62508 1/20 0.43
RECQL P46063 1/20 0.43
SRD5A2 P31213 1/20 0.42
EPHX2 P34913 2/20 0.42
PTGES O14684 1/20 0.41
ALOX5 P09917 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41

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
SCHEMBL8899791 0.88 KMT2A (0.44) RAB9ALMNANPC1ALDH1A1MEN1
SCHEMBL18678829 0.85 NPC1 (0.45) RAB9ALMNANPC1ALDH1A1MEN1
SCHEMBL8900778 0.84 KMT2A (0.55) RAB9ALMNANPC1ALDH1A1MEN1
SCHEMBL8898870 0.84 MLYCD (0.45) RAB9ANPC1ALDH1A1TMEM97SIGMAR1
SCHEMBL10050641 0.83 RAB9A (0.40) RAB9ALMNANPC1ALDH1A1TMEM97
Benzene SCHEMBL28672020 0.80 RIPK1 (0.43) RAB9ALMNANPC1MEN1KMT2A
SCHEMBL4650526 0.80 RIPK1 (0.43) RAB9ALMNANPC1MEN1KMT2A
SCHEMBL8897587 0.80 ACHE (0.57) RAB9ANPC1ALDH1A1SIGMAR1MEN1
SCHEMBL19601362 0.79 NPY5R (0.45) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL8899758 0.78 PPARG (0.48) RAB9ANPC1TMEM97SIGMAR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8899745-B2 Ophthalmic lenses modified with functional groups and methods of making thereof NOVARTIS AG (CH) 2014-12-02 US disclosed
US-20120147323-A1 OPHTHALMIC LENSES MODIFIED WITH FUNCTIONAL GROUPS AND METHODS OF MAKING THEREOF ALCON INC. (CH) 2012-06-14 US disclosed