SCHEMBL28295701

SCHEMBL28295701

COc1cc(I)cc(C=O)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 7/20 0.49
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 2/20 0.48
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MCL1 Q07820 1/20 0.45
PRKDC P78527 2/20 0.44
TUBB1 Q9H4B7 1/20 0.42
MAPT P10636 3/20 0.40
CYP3A4 P08684 2/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
ACHE P22303 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
TLR2 O60603 1/20 0.38
TLR1 Q15399 1/20 0.38
TLR6 Q9Y2C9 1/20 0.38

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
SCHEMBL31538448 1.00 ERN1 (0.49) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL26100046 0.82 ALDH1A1 (0.52) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL16096243 0.81 ALDH1A1 (0.53) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL24464810 0.79 ALDH1A1 (0.47) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL1527077 0.79 ERN1 (0.66) ERN1MAPTLMNATLR2TLR1
SCHEMBL8255062 0.79 ALDH1A1 (0.47) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL210358 0.79 ACHE (0.59) ALDH1A1KDM4ETUBB1MAPTCYP3A4
SCHEMBL13452129 0.78 ERN1 (0.65) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL29459646 0.78 ALDH1A1 (0.58) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL1002582 0.78 ALDH1A1 (0.58) ERN1ALDH1A1KDM4ETSHRTDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113105360-A Multi-modal probe FN and preparation method and application thereof 暨南大学附属第一医院(广州华侨医院) 2021-07-13 CN claimed
CN-113105360-A Multi-modal probe FN and preparation method and application thereof 暨南大学附属第一医院(广州华侨医院) 2021-07-13 CN disclosed
CN-109715803-A Allele editing and uses thereof 巴塞尔大学 2019-05-03 CN disclosed