SCHEMBL8766172

SCHEMBL8766172

C=CC(=O)NCCC(C)(F)F

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.48
ZDHHC2 Q9UIJ5 1/20 0.48
ALDH1A1 P00352 3/20 0.46
TSHR P16473 2/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GAA P10253 1/20 0.42
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TGM2 P21980 6/20 0.33
MLYCD O95822 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL8765966 0.83 ALDH1A1 (0.50) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL6283366 0.83 ZDHHC20 (0.52) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL12731248 0.82 ZDHHC20 (0.50) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL24932662 0.80 ZDHHC20 (0.48) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL635849 0.80 ZDHHC20 (0.48) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL28360724 0.78 ZDHHC20 (0.47) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
Hydrochloric Acid SCHEMBL406600 0.78 ZDHHC20 (0.47) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL19287489 0.78 ZDHHC20 (0.52) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL2906855 0.77 ZDHHC20 (0.46) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL24932940 0.77 ZDHHC20 (0.46) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022117051-A1 MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 北京鞍石生物科技有限责任公司 2022-06-09 WO disclosed
EP-0505972-B1 Process for producing styrenic copolymer IDEMITSU KOSAN CO (JP) 1997-06-11 EP disclosed
EP-0490269-B1 Graft copolymer and process for producing the same IDEMITSU KOSAN CO (JP) 1996-02-28 EP disclosed
US-5250629-A Graft polymerization of styrene and ethylenically unsaturated monomer using transition metal catalysts, organoaluminum compounds; films, packaging, automobile parts IDEMITSU KOSAN CO., LTD. (JP) 1993-10-05 US disclosed
EP-0505972-A2 Process for producing styrenic copolymer IDEMITSU KOSAN COMPANY LIMITED (JP) 1992-09-30 EP disclosed
EP-0490269-A1 Graft copolymer and process for producing the same IDEMITSU KOSAN COMPANY LIMITED (JP) 1992-06-17 EP disclosed