SCHEMBL9629352

SCHEMBL9629352

CCCCCOc1c(C)c(OC(C)=O)c2ccccc2c1OC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
TP53 P04637 2/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TSHR P16473 2/20 0.42
CYP3A4 P08684 2/20 0.42
MAPK1 P28482 1/20 0.42
PTGS2 P35354 5/20 0.42
CCNB2 O95067 1/20 0.41
CCNE2 O96020 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CNR1 P21554 2/20 0.40

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
SCHEMBL9627934 0.99 HTT (0.44) HTTTP53MAPTKDM4EGAA
SCHEMBL9627763 0.96 HTT (0.47) HTTTP53MAPTKDM4EGAA
SCHEMBL9628636 0.91 KDM4E (0.48) HTTTP53MAPTKDM4EGAA
SCHEMBL9628321 0.85 KDM4E (0.50) HTTTP53MAPTKDM4EGAA
SCHEMBL10705544 0.84 HTT (0.41) HTTTP53MAPTKDM4EGAA
SCHEMBL9628487 0.83 HTT (0.49) HTTTP53MAPTKDM4EGAA
SCHEMBL9627611 0.82 KDM4E (0.50) HTTTP53MAPTKDM4EGAA
SCHEMBL9629372 0.82 KDM4E (0.50) HTTTP53MAPTKDM4EGAA
SCHEMBL9628603 0.82 HTT (0.48) HTTTP53MAPTKDM4EGAA
SCHEMBL9713872 0.81 KDM4E (0.59) HTTTP53MAPTKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5155132-A Nonsteroidal antiinflammatory agents; treating psoriasis SYNTEX (U.S.A.) INC. (US) 1992-10-13 US disclosed
US-5089657-A Topical antiinflammatory agents SYNTEX (U.S.A.) INC. (US) 1992-02-18 US disclosed
EP-0282006-A1 Naphtalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-09-14 EP disclosed
EP-0282056-A2 Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-09-14 EP disclosed
US-4758587-A Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-07-19 US disclosed