SCHEMBL30098565

SCHEMBL30098565

C=CC(=O)OCCCNc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.54
ALDH1A1 P00352 5/20 0.50
TSHR P16473 5/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.46
TGM2 P21980 2/20 0.42
TP53 P04637 2/20 0.42
HIF1A Q16665 2/20 0.42
HSD17B10 Q99714 1/20 0.42
NPC1 O15118 1/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 2/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL988048 0.90 THRB (0.57) THRBALDH1A1TSHRCYP3A4MAPT
SCHEMBL7633786 0.85 THRB (0.51) THRBALDH1A1TSHRCYP3A4MAPT
SCHEMBL28440322 0.80 THRB (0.51) THRBALDH1A1TSHRCYP3A4MAPT
SCHEMBL28356625 0.79 LMNA (0.57) ALDH1A1MAPTNPC1RECQLRAB9A
SCHEMBL10627202 0.78 THRB (0.43) THRBALDH1A1CYP3A4MAPTTGM2
SCHEMBL11054572 0.78 HDAC8 (0.55) THRBALDH1A1TSHRCYP3A4HDAC3
SCHEMBL29085550 0.78 DRD2 (0.55) THRBNPC1RECQLRAB9ASMN1; SMN2
SCHEMBL8349531 0.78 TDP1 (0.68) ALDH1A1CYP3A4MAPTHPGDHIF1A
SCHEMBL16039243 0.77 HCAR2 (0.51) THRBALDH1A1MAPTLMNATDP1
SCHEMBL20615035 0.77 SMN1; SMN2 (0.54) THRBALDH1A1TSHRCYP3A4MAPT

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
EP-2657304-B1 AZO DYE, OCULAR LENS MATERIAL, METHOD FOR PRODUCING OCULAR LENS MATERIAL, AND OCULAR LENS MENICON CO LTD (JP) 2022-12-07 EP disclosed