SCHEMBL10550378

SCHEMBL10550378

COC(=O)c1cccc2c(C(=O)c3ccccc3)c(C)oc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 4/20 0.48
EYA3 Q99504 1/20 0.45
SLC6A3 Q01959 1/20 0.44
ALDH1A1 P00352 4/20 0.44
TSHR P16473 2/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
KIF11 P52732 1/20 0.43
CASP6 P55212 1/20 0.43
CYP2C9 P11712 3/20 0.42
THRB P10828 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 4/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.40
PLIN1 O60240 1/20 0.40
GLA P06280 1/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 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
SCHEMBL10550563 0.85 GAA (0.50) CYP2C19ALDH1A1TSHRKMT2AMEN1
SCHEMBL10547539 0.80 NR4A2 (0.44) ALDH1A1TSHRKMT2AKDM4EMAPT
SCHEMBL3965291 0.79 KMT2A (0.44) SLC6A3ALDH1A1TSHRKMT2AKDM4E
SCHEMBL8755551 0.77 TSHR (0.61) SLC6A3ALDH1A1TSHRKMT2AMEN1
SCHEMBL68630 0.77 LMNA (0.50) ALDH1A1TSHRKMT2AKDM4EMAPT
SCHEMBL28853940 0.77 NR4A2 (0.42) CYP2C19SLC6A3ALDH1A1TSHRKMT2A
SCHEMBL8344887 0.77 CYP2C19 (0.49) CYP2C19EYA3ALDH1A1KMT2AMEN1
SCHEMBL8876044 0.77 MAPT (0.42) SLC6A3ALDH1A1TSHRKMT2ACYP2C9
SCHEMBL2950918 0.75 TSHR (0.53) CYP2C19SLC6A3ALDH1A1TSHRKMT2A
Aniline SCHEMBL3829674 0.74 ALDH1A1 (0.51) SLC6A3ALDH1A1TSHRKMT2AMEN1

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
US-4829067-A INHIBITORS OF REFLECTIVE CONTRACTION OF BLADDER TANABE SEIYAKU CO., LTD. (JP) 1989-05-09 US disclosed
EP-0270342-A2 A benzo-furan (or -thiophene) derivative and processes for preparing the same Tanabe Seiyaku Co., Ltd. (JP) 1988-06-08 EP disclosed