SCHEMBL10050641

SCHEMBL10050641

CCC(C)(C)c1ccc(C(=O)C(CC)(Cc2ccccc2)N(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
RIPK1 Q13546 3/20 0.40
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 0.40
LMNA P02545 3/20 0.39
OPRK1 P41145 1/20 0.38
MLYCD O95822 3/20 0.38
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 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
Benzene SCHEMBL28672020 0.87 RIPK1 (0.43) RAB9ANPC1RIPK1LMNAMLYCD
SCHEMBL4650526 0.87 RIPK1 (0.43) RAB9ANPC1RIPK1LMNAMLYCD
SCHEMBL4651747 0.85 NPC1 (0.41) RAB9ANPC1RIPK1POLBLMNA
SCHEMBL8899758 0.85 PPARG (0.48) RAB9ANPC1RIPK1MLYCDTMEM97
SCHEMBL8898890 0.85 LMNA (0.42) RIPK1LMNAOPRK1MLYCDALDH1A1
SCHEMBL19601362 0.84 NPY5R (0.45) RAB9ANPC1POLBCYP2C9PPARG
SCHEMBL8896958 0.84 TMEM97 (0.41) RAB9ARIPK1LMNAMLYCDTMEM97
SCHEMBL58499 0.84 KMT2A (0.51) RAB9ANPC1LMNAMLYCDALDH1A1
SCHEMBL3426366 0.84 MLYCD (0.42) RAB9ANPC1RIPK1MLYCDTMEM97
SCHEMBL8899987 0.84 MLYCD (0.39) RAB9ANPC1RIPK1LMNAOPRK1

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-8097688-B2 Ink composition and inkjet recording method FUJIFILM CORPORATION (JP) 2012-01-17 US disclosed
US-20100227076-A1 INK COMPOSITION AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2010-09-09 US disclosed