SCHEMBL28363185

SCHEMBL28363185

OCCC(c1ccccc1)C(O)(O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.42
▸ CNR1 P21554 3/20 0.39
▸ CNR2 P34972 3/20 0.39
▸ MEN1 O00255 6/20 0.36
▸ KMT2A Q03164 6/20 0.36
▸ TTR P02766 1/20 0.36
▸ CYP2C19 P33261 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ RIPK1 Q13546 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ KCNA5 P22460 2/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ KDM4E B2RXH2 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
SCHEMBL9859724 0.85 MEN1 (0.43) TRPA1CNR1CNR2MEN1KMT2A
SCHEMBL9063549 0.83 AOC3 (0.42) CNR1CNR2MEN1KMT2ATTR
SCHEMBL10634069 0.79 TRPA1 (0.41) TRPA1CNR1CNR2MEN1KMT2A
SCHEMBL6247835 0.78 LMNA (0.47) TRPA1MEN1KMT2ATTRCYP2C19
SCHEMBL1152521 0.78 ALDH1A1 (0.42) TRPA1CNR1CNR2MEN1KMT2A
SCHEMBL10817073 0.78 ALDH1A1 (0.42) TRPA1CNR1CNR2MEN1KMT2A
SCHEMBL6571179 0.77 KDM4E (0.49) CYP2C19CYP1A2CYP2C9HTTNPSR1
SCHEMBL25015588 0.76 TRPA1 (0.48) TRPA1CNR1CNR2RIPK1HTT
SCHEMBL1832214 0.76 TRPA1 (0.44) TRPA1RIPK1HRH1LMNA
SCHEMBL25016013 0.76 TRPA1 (0.48) TRPA1CNR1CNR2RIPK1HTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110870843-A Topical composition containing glycerin and yeast extract 强生消费者公司 2020-03-10 — — CN disclosed
CN-110870884-A Topical composition comprising pichia anomala and soy product 强生消费者公司 2020-03-10 — — CN disclosed
CN-110870880-A Topical composition comprising pichia anomala and retinol 强生消费者公司 2020-03-10 — — CN disclosed
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