SCHEMBL29101153

SCHEMBL29101153

CC(=O)Oc1cc2cc(C(=O)O)[nH]c2cc1O.Oc1cc2c(cc1O)NCC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.48
SRD5A2 P31213 3/20 0.38
SRD5A1 P18405 1/20 0.38
SMAD3 P84022 1/20 0.35
PIN1 Q13526 1/20 0.34
EIF4A3 P38919 2/20 0.34
KDM4E B2RXH2 4/20 0.32
HPGD P15428 4/20 0.32
ALDH1A1 P00352 4/20 0.32
LMNA P02545 2/20 0.32
HSD17B10 Q99714 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
F7 P08709 1/20 0.32
F3 P13726 1/20 0.32
PDPK1 O15530 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
APEX1 P27695 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 2/20 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
SCHEMBL22129956 0.84 GPR35 (0.63) GPR35SRD5A2SRD5A1SMAD3PIN1
SCHEMBL22462284 0.80 DRD2 (0.41) KDM4EALDH1A1HSD17B10CYP2C19KMT2A
SCHEMBL9970255 0.77 GPR35 (0.51) GPR35SRD5A2SRD5A1SMAD3PIN1
SCHEMBL14169498 0.75 GPR35 (0.54) GPR35SRD5A2SRD5A1SMAD3PIN1
SCHEMBL3361096 0.71 GPR35 (0.67) GPR35SRD5A2SRD5A1SMAD3PIN1
SCHEMBL30779684 0.71 GPR35 (0.67) GPR35SRD5A2SRD5A1SMAD3PIN1
SCHEMBL5187424 0.70 KDM4E (0.48) KDM4EALDH1A1TSHRCYP2C19KMT2A
SCHEMBL49512 0.69 GPR35 (1.00) GPR35SRD5A2SMAD3PIN1EIF4A3
SCHEMBL19506405 0.68 GPR35 (0.67) GPR35SRD5A2SRD5A1SMAD3PIN1
SCHEMBL25721500 0.68 GPR35 (0.61) GPR35SRD5A2SRD5A1SMAD3PIN1

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-116829120-A Method for treating keratin fibers 花王株式会社 2023-09-29 CN disclosed