SCHEMBL20192086

SCHEMBL20192086

CC(C)(C)C(=O)OCC1=C[C@@H]2CC[C@H]1C2(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 2/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 4/20 0.32
RAB9A P51151 4/20 0.32
KMT2A Q03164 2/20 0.32
CYP2C19 P33261 2/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ELANE P08246 1/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
PKM P14618 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
SCHEMBL14562352 0.75 ELANE (0.33) NPC1KMT2ACYP2C19CYP1A2CYP2C9
SCHEMBL821494 0.75 ELANE (0.33) NPC1KMT2ACYP2C19CYP1A2CYP2C9
SCHEMBL17414527 0.75 ELANE (0.33) NPC1KMT2ACYP2C19CYP1A2CYP2C9
SCHEMBL26201200 0.75 CNR2 (0.33) NPC1KMT2ACYP2C19CYP1A2CYP2C9
SCHEMBL31320358 0.75 ELANE (0.33) NPC1KMT2ACYP2C19CYP1A2CYP2C9
SCHEMBL17388254 0.75 ELANE (0.33) NPC1KMT2ACYP2C19CYP1A2CYP2C9
SCHEMBL24281979 0.70 TDP1 (0.46) SMN1; SMN2KMT2ATDP1KDM4E
SCHEMBL821682 0.70 ELANE (0.34) NPC1SMN1; SMN2GAAPOLBNPSR1
SCHEMBL18944183 0.70 TDP1 (0.46) SMN1; SMN2KMT2ATDP1KDM4E
SCHEMBL24281977 0.70 ELANE (0.34) NPC1SMN1; SMN2GAAPOLBNPSR1

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
US-9981068-B2 Polymers which resist bacterial attachment THE UNIVERSITY OF NOTTINGHAM (GB) 2018-05-29 US disclosed