SCHEMBL28652919

SCHEMBL28652919

CC(C)=CCC/C(C)=C/CNc1ccccc1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GGPS1 O95749 2/20 0.64
▸ HSD17B10 Q99714 2/20 0.56
▸ ICMT O60725 1/20 0.56
▸ GMNN O75496 1/20 0.56
▸ TRPA1 O75762 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ POLB P06746 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ NFKB1 P19838 1/20 0.56
▸ CDK2 P24941 1/20 0.56
▸ RECQL P46063 1/20 0.56
▸ BLM P54132 1/20 0.56
▸ HIF1A Q16665 1/20 0.56
▸ TRPV1 Q8NER1 4/20 0.54
▸ ALDH1A1 P00352 1/20 0.49
▸ HPGD P15428 1/20 0.49

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
SCHEMBL3864833 0.99 GGPS1 (0.64) GGPS1HSD17B10ICMTGMNNTRPA1
SCHEMBL16190235 0.99 GGPS1 (0.64) GGPS1HSD17B10ICMTGMNNTRPA1
SCHEMBL17019884 0.87 GGPS1 (0.52) GGPS1HSD17B10ICMTGMNNTRPA1
SCHEMBL15702136 0.86 GGPS1 (0.51) GGPS1HSD17B10ICMTGMNNTRPA1
SCHEMBL21562652 0.85 GGPS1 (0.53) GGPS1HSD17B10ICMTGMNNTRPA1
SCHEMBL22299566 0.85 GGPS1 (0.50) GGPS1HSD17B10ICMTGMNNTRPA1
SCHEMBL17019885 0.80 GGPS1 (0.46) GGPS1HSD17B10ICMTGMNNTRPA1
SCHEMBL13165456 0.79 GGPS1 (0.66) GGPS1HSD17B10ICMTGMNNTRPA1
SCHEMBL17019976 0.79 TRPV1 (0.48) GGPS1CYP3A4MAPTTRPV1ALDH1A1
SCHEMBL3710379 0.79 TRPA1 (0.51) GGPS1HSD17B10ICMTGMNNTRPA1

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
CN-113646416-A Laundry products comprising cellulolytic enzymes 科莱恩产品 (德国) 公司 2021-11-12 — — CN disclosed
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