SCHEMBL9627451

SCHEMBL9627451

COc1c(OC(C)(C)C)cc(OC(C)=O)c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.56
ABCB11 O95342 1/20 0.44
TSHR P16473 3/20 0.43
KDM4E B2RXH2 6/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
TNFSF11 O14788 1/20 0.41
SLC22A6 Q4U2R8 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
IDO1 P14902 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NLRP3 Q96P20 1/20 0.39
HPGD P15428 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
ESR1 P03372 1/20 0.37

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
SCHEMBL9627397 0.91 HTT (0.63) HTTABCB11TSHRKDM4EHSD17B10
SCHEMBL9627737 0.89 HTT (0.52) HTTABCB11TSHRKDM4EHSD17B10
SCHEMBL10698804 0.86 HTT (0.64) HTTABCB11TSHRKDM4EHSD17B10
SCHEMBL9659940 0.85 ALDH1A1 (0.47) HTTKDM4EHSD17B10MAPTGAA
SCHEMBL9628422 0.84 HTT (0.53) HTTTSHRKDM4EHSD17B10MAPT
SCHEMBL9659872 0.82 KDM4E (0.40) HTTTSHRKDM4EMAPTGAA
SCHEMBL9627465 0.80 HTT (0.69) HTTABCB11TSHRKDM4EHSD17B10
SCHEMBL9657650 0.80 HTT (0.42) HTTTSHRKDM4EHSD17B10MAPT
SCHEMBL9657929 0.79 HSD17B10 (0.40) HTTKDM4EHSD17B10MAPTCYP1A2
SCHEMBL9628372 0.78 MAPT (0.61) HTTABCB11TSHRKDM4EHSD17B10

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