SCHEMBL10889012

SCHEMBL10889012

CSc1ccc(C(=O)C(c2ccccc2)(c2ccccc2)N2CCOCC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
TSHR P16473 2/20 0.69
MAPK1 P28482 1/20 0.69
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 3/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
HTT P42858 1/20 0.38
FKBP1A P62942 1/20 0.38
SLC18A3 Q16572 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.37
KCNA5 P22460 1/20 0.37
KIF11 P52732 1/20 0.37

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
SCHEMBL10888633 0.87 SMN1; SMN2 (0.70) ALDH1A1SMN1; SMN2TSHRMAPK1KDM4E
Biphenyl SCHEMBL15988145 0.83 ALDH1A1 (0.85) ALDH1A1SMN1; SMN2TSHRMAPK1KDM4E
SCHEMBL27591390 0.82 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2TSHRMAPK1KDM4E
SCHEMBL27554 0.82 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2TSHRMAPK1KDM4E
SCHEMBL14246539 0.82 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2TSHRMAPK1KDM4E
Acetophenone SCHEMBL21625760 0.81 ALDH1A1 (0.81) ALDH1A1SMN1; SMN2TSHRMAPK1KDM4E
SCHEMBL29051653 0.81 ALDH1A1 (0.81) ALDH1A1SMN1; SMN2TSHRMAPK1KDM4E
SCHEMBL10888543 0.81 ALDH1A1 (0.81) ALDH1A1SMN1; SMN2TSHRMAPK1KDM4E
Hydrochloric Acid SCHEMBL727298 0.81 ALDH1A1 (0.97) ALDH1A1SMN1; SMN2TSHRMAPK1KDM4E
SCHEMBL8899138 0.81 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2TSHRMAPK1KDM4E

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-4582862-A QUICK-SETTING PRINTING INKS BASED ON ACRYLATED RESINS CIBA-GEIGY CORPORATION (US) 1986-04-15 US disclosed