SCHEMBL30003452

SCHEMBL30003452

CC(C)OC(=O)Oc1ccc(OC(=O)OC(C)C)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
PKM P14618 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
NCEH1 Q6PIU2 2/20 0.43
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
GLA P06280 1/20 0.41
RECQL P46063 1/20 0.41
HSD17B10 Q99714 4/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 2/20 0.41
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL23271942 1.00 TSHR (0.44) TSHRPKMNPC1RAB9ANCEH1
SCHEMBL28379570 0.86 ALDH1A1 (0.57) TSHRRAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL22882734 0.86 ALDH1A1 (0.50) TSHRNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL28699574 0.84 ALDH1A1 (0.48) RAB9ANCEH1KDM4ESMN1; SMN2MAPT
SCHEMBL3871523 0.83 TSHR (0.33) TSHRPKMNPC1RAB9ANCEH1
SCHEMBL20398675 0.82 TSHR (0.43) TSHRNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL30003450 0.82 TSHR (0.43) TSHRNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL7803575 0.82 HSD17B10 (0.58) TSHRPKMNPC1RAB9ANCEH1
SCHEMBL30003241 0.82 HSD17B10 (0.58) TSHRPKMNPC1RAB9ANCEH1
SCHEMBL23271694 0.81 HTT (0.61) TSHRKDM4ESMN1; SMN2MAPTHTT

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-110891980-B Radical polymerization control agent and radical polymerization control method 川崎化成工业株式会社 2022-09-30 CN disclosed