SCHEMBL16370718

SCHEMBL16370718

Cc1ccc(OC(C(C)O)N2CCOCC2)cc1C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
FKBP1A P62942 2/20 0.50
POLB P06746 1/20 0.46
GAA P10253 2/20 0.44
HPGD P15428 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TP53 P04637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39

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
Hydrochloric Acid SCHEMBL16371043 0.99 FKBP1A (0.49) SMN1; SMN2FKBP1APOLBGAAHPGD
SCHEMBL16370882 0.84 CYP1A2 (0.47) FKBP1AHPGDTP53MEN1KMT2A
SCHEMBL16370936 0.82 ALDH1A1 (0.46) SMN1; SMN2FKBP1AHPGDNPC1RAB9A
SCHEMBL16371130 0.82 SMN1; SMN2 (0.49) SMN1; SMN2FKBP1APOLBGAATP53
SCHEMBL16371037 0.82 KMT2A (0.51) SMN1; SMN2POLBMEN1KMT2AMAPT
SCHEMBL16370623 0.81 MEN1 (0.56) SMN1; SMN2FKBP1APOLBGAAHPGD
SCHEMBL16370596 0.80 SMN1; SMN2 (0.51) SMN1; SMN2POLBHPGDNPC1RAB9A
SCHEMBL16370542 0.76 SMN1; SMN2 (0.41) SMN1; SMN2HPGDTP53MEN1KMT2A
SCHEMBL6832889 0.72 CHRNB2 (0.39) HPGDMEN1KMT2AKDM4EALDH1A1
SCHEMBL21775573 0.71 TDP1 (0.46) SMN1; SMN2FKBP1APOLBNPC1RAB9A

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
WO-2015004485-A1 THERAPEUTIC COMPOUNDS ISIS INNOVATION LIMITED (GB) 2015-01-15 WO claimed
WO-2015004485-A1 THERAPEUTIC COMPOUNDS ISIS INNOVATION LIMITED (GB) 2015-01-15 WO disclosed