SCHEMBL9873671

SCHEMBL9873671

COC(=O)c1c(F)c(F)c(CC(=O)OC(c2ccccc2)c2ccccc2)c(F)c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
TP53 P04637 1/20 0.40
LMNA P02545 1/20 0.40
KLK7 P49862 3/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
TSHR P16473 5/20 0.38
MAPK1 P28482 1/20 0.38
AR P10275 1/20 0.37
PLA2G2A P14555 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL9872913 0.78 KMT2A (0.41) CRHBPCRHR2ALDH1A1KMT2AKDM4E
SCHEMBL9872562 0.77 MAPK1 (0.39) CRHBPCRHR2ALDH1A1KMT2AKDM4E
SCHEMBL9873422 0.74 KMT2A (0.38) ALDH1A1KMT2AKDM4EHPGDTP53
SCHEMBL9873486 0.73 TSHR (0.41) CRHBPCRHR2ALDH1A1KDM4EHPGD
SCHEMBL9874822 0.73 TSHR (0.50) ALDH1A1KMT2AKDM4ELMNAESR1
SCHEMBL9875296 0.71 CRHBP (0.60) CRHBPCRHR2ALDH1A1KMT2AKDM4E
SCHEMBL4911331 0.70 CRHBP (0.69) CRHBPCRHR2ALDH1A1KLK7ESR1
SCHEMBL9314235 0.69 CRHBP (0.46) CRHBPCRHR2KDM4EKLK7TSHR
SCHEMBL11000173 0.69 KMT2A (0.57) CRHBPCRHR2ALDH1A1KMT2AKDM4E
SCHEMBL5402590 0.69 CRHBP (0.54) CRHBPCRHR2ALDH1A1KMT2AKDM4E

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
US-4990508-A Reduced side effects TOYAMA CHEMICAL CO., LTD. (JP) 1991-02-05 US disclosed