SCHEMBL21441203

SCHEMBL21441203

C=C(CCC(=C)c1ccc2[nH]cnc2c1)c1cccc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTNNB1 P35222 4/20 0.41
▸ WNT3A P56704 4/20 0.41
▸ HTT P42858 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ POLB P06746 2/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ QPCTL Q9NXS2 1/20 0.35
▸ CES2 O00748 1/20 0.35
▸ CES1 P23141 1/20 0.35
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALPL P05186 1/20 0.33

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
SCHEMBL21441188 0.88 HTT (0.44) CTNNB1WNT3AHTTSMN1; SMN2RAB9A
SCHEMBL21441134 0.86 CTNNB1 (0.51) CTNNB1WNT3AHTTSMN1; SMN2RAB9A
SCHEMBL21441252 0.84 ALPL (0.42) CTNNB1WNT3AHTTSMN1; SMN2RAB9A
SCHEMBL15979925 0.84 CTNNB1 (0.60) CTNNB1WNT3AHTTSMN1; SMN2RAB9A
SCHEMBL21441144 0.84 MAPT (0.40) CTNNB1WNT3ACES2MAPTPARP1
SCHEMBL21441130 0.82 CTNNB1 (0.54) CTNNB1WNT3AHTTSMN1; SMN2RAB9A
SCHEMBL21441236 0.81 CTNNB1 (0.40) CTNNB1WNT3AHTTSMN1; SMN2RAB9A
SCHEMBL21441284 0.81 NAMPT (0.44) CTNNB1WNT3AHTTSMN1; SMN2RAB9A
SCHEMBL21441397 0.80 QPCT (0.40) CTNNB1WNT3AHTTSMN1; SMN2RAB9A
SCHEMBL21441154 0.80 CTNNB1 (0.38) CTNNB1WNT3AHTTSMN1; SMN2RAB9A

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-3206686-B1 GAMMA-DIKETONES FOR TREATMENT AND PREVENTION OF AGING SKIN AND WRINKLES SAMUMED LLC (US) 2019-10-09 — — EP disclosed
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