SCHEMBL31144917

SCHEMBL31144917

CCCCOc1cc(C(N)=O)cc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 1/20 0.47
▸ FAAH O00519 2/20 0.46
▸ MAOB P27338 2/20 0.45
▸ RHOC P08134 1/20 0.44
▸ RHOA P61586 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ PTGES O14684 1/20 0.42
▸ ALOX5 P09917 1/20 0.42
▸ PPARG P37231 1/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ CYP1A1 P04798 1/20 0.41
▸ CYP1B1 Q16678 1/20 0.41
▸ PARP10 Q53GL7 1/20 0.41
▸ CACNA1B Q00975 2/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ TSHR P16473 1/20 0.40

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
SCHEMBL17056237 0.87 PLA2G2A (0.63) PLA2G2AFAAHTP53TSHR
SCHEMBL31144862 0.86 GPBAR1 (0.46) MAOBRHOCRHOAALDH1A1HTT
SCHEMBL15977059 0.85 PLA2G2A (0.57) PLA2G2APARP10GAARAB9ATP53
SCHEMBL17414620 0.85 PLA2G2A (0.62) PLA2G2APARP10GAARAB9ATP53
SCHEMBL31144913 0.84 NOTUM (0.58) PLA2G2AFAAHRHOCRHOAALDH1A1
SCHEMBL18758579 0.84 ESR1 (0.52) PLA2G2AFAAHALDH1A1HTTCYP2D6
SCHEMBL12331978 0.84 RHOC (0.44) FAAHMAOBRHOCRHOAALDH1A1
SCHEMBL16953371 0.84 PLA2G2A (0.43) PLA2G2AFAAHRHOCRHOAALDH1A1
SCHEMBL12130271 0.83 AURKA (0.47) MAOBALDH1A1
SCHEMBL5086980 0.79 PLA2G2A (0.73) PLA2G2AGAARAB9ATP53TSHR

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
WO-2024175804-A1 NUCLEAR TRANSPORT MODULATORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2024-08-29 — — WO disclosed
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