SCHEMBL22928607

SCHEMBL22928607

CC(C)[C@](C)(O)c1ccc(Br)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 2/20 0.37
CYP2A6 P11509 1/20 0.36
ALDH1A1 P00352 2/20 0.35
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
FPR2 P25090 1/20 0.33
ALOX5 P09917 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 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
SCHEMBL17775052 0.88 MEN1 (0.40) MEN1KMT2ALMNAALDH1A1ALOX15
SCHEMBL12238630 0.81 MEN1 (0.36) MEN1KMT2ALMNAALDH1A1ALOX15
SCHEMBL4989751 0.80 CA1 (0.35) MEN1KMT2ALMNASMN1; SMN2POLB
SCHEMBL22928449 0.79 MAOA (0.35) MEN1KMT2ALMNASMN1; SMN2POLB
SCHEMBL19448778 0.79 CYP3A4 (0.39) MEN1KMT2ALMNASMN1; SMN2POLB
SCHEMBL18905278 0.79 MEN1 (0.34) MEN1KMT2ALMNACYP2D6CYP2C9
SCHEMBL12238616 0.79 TSHR (0.50) MEN1KMT2ALMNAALDH1A1HTT
SCHEMBL19130232 0.79 TSHR (0.50) MEN1KMT2ALMNAALDH1A1HTT
SCHEMBL706386 0.77 APP (0.35) MEN1KMT2ALMNACYP2D6CYP2C9
SCHEMBL12238642 0.77 KMT2A (0.60) MEN1KMT2ALMNASMN1; SMN2POLB

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
EP-3380101-B1 EIF4-A-INHIBITING COMPOUNDS AND METHODS RELATED THERETO EFFECTOR THERAPEUTICS INC (US) 2021-01-27 EP disclosed