SCHEMBL9658296

SCHEMBL9658296

CC(C)OC(=O)Oc1cc(Oc2ccccc2)c(OC(=O)OC(C)C)c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.40
PTGS1 P23219 1/20 0.37
TTR P02766 2/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ESRRA P11474 1/20 0.34
KDM4E B2RXH2 1/20 0.34
BCL2 P10415 2/20 0.34
MCL1 Q07820 2/20 0.34
MDM2 Q00987 1/20 0.34
TSHR P16473 1/20 0.34
CTNNB1 P35222 1/20 0.34
TSPO P30536 1/20 0.34
ACACB O00763 1/20 0.34
ACACA Q13085 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
SCHEMBL9657924 0.85 HTT (0.42) HTTPOLBLMNACYP1A2CYP2C9
SCHEMBL9657784 0.85 KMT2A (0.42) HTTTTRPOLBLMNAL3MBTL1
SCHEMBL9656577 0.83 TSHR (0.39) PTGS1LMNACYP1A2CYP2C9SMN1; SMN2
SCHEMBL9656391 0.82 L3MBTL1 (0.40) HTTLMNAL3MBTL1SMN1; SMN2KDM4E
SCHEMBL9659409 0.81 KDM4E (0.44) HTTTTRPOLBLMNAL3MBTL1
SCHEMBL9658026 0.81 TTR (0.47) TTRPOLBLMNACYP1A2CYP2C9
SCHEMBL10707130 0.81 ELANE (0.42) HTTPTGS1TTRPOLBLMNA
SCHEMBL23271694 0.81 HTT (0.61) HTTPOLBLMNAL3MBTL1SMN1; SMN2
SCHEMBL30004224 0.81 HTT (0.61) HTTPOLBLMNAL3MBTL1SMN1; SMN2
SCHEMBL9656394 0.80 LMNA (0.40) HTTPOLBLMNAL3MBTL1SMN1; SMN2

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
US-5134161-A Enzyme inhibitors for skin disorders, antiinflammatory agents SYNTEX (U.S.A.) INC. (US) 1992-07-28 US disclosed
US-4786652-A TOPICAL ADMINISTRATION SYNTEX (U.S.A.) INC. (US) 1988-11-22 US disclosed
EP-0282006-A1 Naphtalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-09-14 EP disclosed