SCHEMBL28062585

SCHEMBL28062585

CCC(C)(C)c1cc(CN)cc(C(C)(C)CC)c1C(Oc1ccccc1)C(CO)(CO)CO

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
CYP2C9 P11712 1/20 0.32
RAB9A P51151 1/20 0.32
MAPK14 Q16539 1/20 0.32

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
SCHEMBL28827517 0.89 MEN1 (0.32) CYP2C9MAPK14
SCHEMBL996388 0.86 NPC1 (0.34) NPC1POLBCYP2C9RAB9AMAPK14
SCHEMBL8926701 0.77
SCHEMBL997810 0.75 SMN1; SMN2 (0.35) POLBCYP2C9MAPK14
SCHEMBL28273784 0.74
SCHEMBL27801952 0.74 MEN1 (0.31) CYP2C9
SCHEMBL27822660 0.73 MAOB (0.35) POLBCYP2C9
SCHEMBL27658040 0.73 MEN1 (0.33) CYP2C9
SCHEMBL995221 0.70
SCHEMBL28273939 0.70 MEN1 (0.31) CYP2C9

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
CN-105849196-A Polyamide composition, molded article, reflective board for LEDs, and method for preventing heat-induced reflectivity reduction 旭化成株式会社 2016-08-10 CN disclosed