SCHEMBL31055344

SCHEMBL31055344

C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(C)=O)CC(C)=C1C[C@H]3O[C@@]3(C)[C@@H]12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.55
▸ FNTA P49354 1/20 0.50
▸ FNTB P49356 1/20 0.50
▸ PGGT1B P53609 1/20 0.50
▸ NPC1 O15118 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ HTT P42858 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ PKM P14618 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ PAX8 Q06710 2/20 0.39
▸ MITF O75030 1/20 0.39
▸ PTGS2 P35354 3/20 0.39
▸ NLRP3 Q96P20 1/20 0.34
▸ GPX4 P36969 1/20 0.34
▸ XBP1 P17861 1/20 0.34

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
SCHEMBL30788748 0.77 NPC1 (0.47) CYP19A1FNTAFNTBPGGT1BNPC1
SCHEMBL30668144 0.77 CYP19A1 (0.44) CYP19A1FNTAFNTBPGGT1BNPC1
Ludartin SCHEMBL29556149 0.71 CYP19A1 (1.00) CYP19A1NPC1MAPTHTTRAB9A
SCHEMBL30252306 0.70 CYP19A1 (0.52) CYP19A1FNTAFNTBPGGT1BNPC1
SCHEMBL28254414 0.69 FNTA (0.92) FNTAFNTBPGGT1BNPC1MAPT
SCHEMBL30800891 0.67 FNTA (0.45) FNTAFNTBPGGT1BNPC1MAPT
SCHEMBL29774509 0.67 FNTA (0.47) FNTAFNTBPGGT1BNPC1MAPT
SCHEMBL31424068 0.67 FNTA (0.58) FNTAFNTBPGGT1BNPC1MAPT
SCHEMBL31424073 0.67 FNTA (0.58) FNTAFNTBPGGT1BNPC1MAPT
Crassolide SCHEMBL31006407 0.66 FNTA (0.58) FNTAFNTBPGGT1BNPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024189607-A1 METHODS AND BIOAVAILABLE HIGHLY PERMEABLE COMPOUNDS FOR DISEASES TREATMENT DIDENKO KIRILL (MX) 2024-09-19 — — WO disclosed
CN-118477008-A Application of 8 herbal tea compound extracts in preparation of skin care cosmetic composition 康丽园股份公司 2024-08-13 — — CN disclosed
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