SCHEMBL21441397

SCHEMBL21441397

C=C(CCC(=C)c1ccc2[nH]cnc2c1)c1ccc(C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 4/20 0.40
▸ TDP1 Q9NUW8 2/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ RAB9A P51151 3/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ CTNNB1 P35222 2/20 0.38
▸ WNT3A P56704 2/20 0.38
▸ P2RY14 Q15391 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.35
▸ PARP1 P09874 2/20 0.35
▸ CHEK1 O14757 1/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ RPS6KA3 P51812 1/20 0.35
▸ HTT P42858 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35

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
SCHEMBL21441252 0.88 ALPL (0.42) TDP1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL21441134 0.87 CTNNB1 (0.51) QPCTTDP1KMT2ARAB9ASMN1; SMN2
SCHEMBL21441188 0.86 HTT (0.44) QPCTRAB9ASMN1; SMN2CTNNB1WNT3A
SCHEMBL21441154 0.86 CTNNB1 (0.38) QPCTTDP1RAB9ASMN1; SMN2CTNNB1
SCHEMBL21441354 0.83 CTNNB1 (0.40) TDP1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL21441148 0.82 MAPT (0.47) QPCTRAB9ASMN1; SMN2NPC1CTNNB1
SCHEMBL21441405 0.82 CTNNB1 (0.37) QPCTTDP1KMT2ARAB9ASMN1; SMN2
SCHEMBL21441236 0.82 CTNNB1 (0.40) QPCTTDP1RAB9ASMN1; SMN2CTNNB1
SCHEMBL15980124 0.80 CTNNB1 (0.60) TDP1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL21441240 0.80 CTNNB1 (0.36) QPCTTDP1RAB9ASMN1; SMN2CTNNB1

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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