SCHEMBL21441284

SCHEMBL21441284

C=C(CCC(=C)c1ccc2[nH]cnc2c1)c1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.44
▸ QPCT Q16769 2/20 0.43
▸ QPCTL Q9NXS2 1/20 0.43
▸ CTNNB1 P35222 3/20 0.40
▸ WNT3A P56704 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ GAA P10253 2/20 0.33
▸ APP P05067 1/20 0.33
▸ HCAR3 P49019 1/20 0.33
▸ HCAR2 Q8TDS4 1/20 0.33
▸ MAP2K1 Q02750 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ PLOD2 O00469 1/20 0.33
▸ F7 P08709 1/20 0.33
▸ F3 P13726 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
SCHEMBL21441405 0.85 CTNNB1 (0.37) NAMPTQPCTQPCTLCTNNB1WNT3A
SCHEMBL21441134 0.85 CTNNB1 (0.51) NAMPTQPCTQPCTLCTNNB1WNT3A
SCHEMBL21441154 0.84 CTNNB1 (0.38) NAMPTQPCTQPCTLCTNNB1WNT3A
SCHEMBL21441240 0.83 CTNNB1 (0.36) NAMPTQPCTQPCTLCTNNB1WNT3A
SCHEMBL21441236 0.83 CTNNB1 (0.40) NAMPTQPCTQPCTLCTNNB1WNT3A
SCHEMBL15979996 0.82 CTNNB1 (0.59) NAMPTQPCTQPCTLCTNNB1WNT3A
SCHEMBL21441252 0.81 ALPL (0.42) CTNNB1WNT3AALDH1A1HPGDKDM4E
SCHEMBL21441203 0.81 CTNNB1 (0.41) QPCTQPCTLCTNNB1WNT3AALDH1A1
SCHEMBL21441276 0.80 CTNNB1 (0.39) NAMPTQPCTQPCTLCTNNB1WNT3A
SCHEMBL21441296 0.80 CTNNB1 (0.42) QPCTQPCTLCTNNB1WNT3AALDH1A1

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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