SCHEMBL6424342

SCHEMBL6424342

C=C1C(=O)OC2CC(C)C34OC3CC(=O)C4(C)CC12

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.48
▸ MAPT P10636 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ XBP1 P17861 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ MDM2 Q00987 1/20 0.44
▸ PKM P14618 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ STAT3 P40763 1/20 0.38
▸ NLRP3 Q96P20 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ PAX8 Q06710 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
Peruvin SCHEMBL30619869 0.72 PAX8 (0.52) PTGS2MAPTRAB9ANPC1XBP1
Peruvin SCHEMBL29412594 0.72 PAX8 (0.52) PTGS2MAPTRAB9ANPC1XBP1
Burrodin SCHEMBL30072218 0.65 PTGS2 (1.00) PTGS2MAPTRAB9ANPC1XBP1
SCHEMBL23106991 0.65 MAPT (0.49) PTGS2MAPTRAB9ANPC1XBP1
Graveolide SCHEMBL31279270 0.64 PTGS2 (0.59) PTGS2MAPTRAB9ANPC1XBP1
Confertin SCHEMBL30139341 0.64 PTGS2 (0.59) PTGS2MAPTRAB9ANPC1XBP1
SCHEMBL31237447 0.62 PTGS2 (0.57) PTGS2MAPTRAB9ANPC1XBP1
SCHEMBL2102873 0.62 PTGS2 (0.51) PTGS2MAPTRAB9ANPC1XBP1
SCHEMBL29359310 0.62 PTGS2 (0.51) PTGS2MAPTRAB9ANPC1XBP1
SCHEMBL8513390 0.62 PTGS2 (0.48) PTGS2MAPTRAB9ANPC1XBP1

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
EP-1509181-A1 PERSONAL CARE ARTICLE AND METHOD FOR INHIBITING ATTACHMENT OF YEAST TO SKIN Kimberly-Clark Worldwide, Inc. (US) 2005-03-02 — — EP disclosed
WO-2003101356-A1 PERSONAL CARE ARTICLE AND METHOD FOR INHIBITING ATTACHMENT OF YEAST TO SKIN KIMBERLY-CLARK WORLDWIDE, INC. (US) 2003-12-11 — — WO disclosed
US-20030224034-A1 Personal care article and method for inhibiting attachment of yeast to skin KIMBERLY-CLARK WORLDWIDE, INC. 2003-12-04 — — US disclosed
Send feedback