SCHEMBL30868019

SCHEMBL30868019

CC(C)c1ccc(N)c(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
ALDH1A1 P00352 1/20 0.47
ALOX12 P18054 1/20 0.47
HTT P42858 1/20 0.47
HIF1A Q16665 1/20 0.47
FFAR4 Q5NUL3 9/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
FFAR1 O14842 3/20 0.37
AR P10275 1/20 0.37
GLA P06280 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.36
NPC1 O15118 1/20 0.36
SCN4A P35499 1/20 0.36
RAB9A P51151 1/20 0.36
PDK2 Q15119 1/20 0.36
AKR1C3 P42330 2/20 0.36
AKR1C2 P52895 2/20 0.36
ADRB2 P07550 1/20 0.36

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
SCHEMBL397079 1.00 GAA (0.47) GAAALDH1A1ALOX12HTTHIF1A
SCHEMBL9861391 0.85 HIF1A (0.44) GAAALDH1A1ALOX12HTTHIF1A
SCHEMBL5958706 0.85 HIF1A (0.44) GAAALDH1A1ALOX12HTTHIF1A
SCHEMBL24987718 0.84 GAA (0.52) GAAALDH1A1ALOX12HTTHIF1A
SCHEMBL4436106 0.83 FFAR4 (0.36) GAAALDH1A1ALOX12HTTHIF1A
SCHEMBL13304198 0.81 LMNA (0.40) GAAALDH1A1ALOX12HTTHIF1A
SCHEMBL10265137 0.80 AKR1C3 (0.38) FFAR4SMN1; SMN2FFAR1ARAKR1C3
SCHEMBL22326115 0.80 ESR1 (0.43) GAAALDH1A1ALOX12HTTHIF1A
SCHEMBL28262586 0.79 AKR1C3 (0.40) GAAALDH1A1FFAR4SMN1; SMN2FFAR1
SCHEMBL10030654 0.79 GLA (0.48) GAAGLAPOLBTSHRLMNA

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
WO-2025122555-A1 S1P 1 RECEPTOR AGONISTS AND USES THEREOF VALO HEALTH, INC. (US) 2025-06-12 WO disclosed
WO-2024028169-A1 NOVEL SPECIFICALLY SUBSTITUTED THIOPHENOLIC COMPOUNDS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2024-02-08 WO disclosed