SCHEMBL9628672

SCHEMBL9628672

CCCC(=O)Oc1cc(OCC)c(O)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.46
CASP7 P55210 1/20 0.46
CASP9 P55211 1/20 0.46
ALOX15 P16050 1/20 0.43
AKR1C3 P42330 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
PLCG1 P19174 1/20 0.41
KDM4E B2RXH2 1/20 0.40
RECQL P46063 1/20 0.40
LMNA P02545 1/20 0.40
SLC2A1 P11166 1/20 0.40
GLA P06280 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TOP2A P11388 2/20 0.39
GAA P10253 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
TP53 P04637 1/20 0.38

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
SCHEMBL9628078 0.92 TOP2A (0.49) CASP3CASP7CASP9ALOX15MEN1
SCHEMBL9628263 0.90 CASP3 (0.47) CASP3CASP7CASP9ALOX15MEN1
SCHEMBL9627982 0.87 ALOX5 (0.43) CASP3CASP7CASP9ALOX15MEN1
SCHEMBL9627650 0.86 ALOX15 (0.43) CASP3CASP7CASP9ALOX15AKR1C3
SCHEMBL9628123 0.85 HTT (0.51) CASP3CASP7CASP9MEN1KMT2A
SCHEMBL9628171 0.85 ALOX15 (0.40) CASP3CASP7CASP9ALOX15MEN1
SCHEMBL9627580 0.84 ALOX15 (0.39) ALOX15MEN1KMT2AKDM4ERECQL
SCHEMBL9629388 0.83 CASP3 (0.49) CASP3CASP7CASP9MEN1KMT2A
SCHEMBL16672664 0.80 L3MBTL1 (0.56) ALOX15AKR1C3MEN1KMT2APOLB
SCHEMBL9628129 0.80 TOP2A (0.48) ALOX15MEN1KMT2AKDM4ERECQL

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