SCHEMBL9628078

SCHEMBL9628078

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

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.49
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
RECQL P46063 1/20 0.46
KMT2A Q03164 1/20 0.46
ALOX15 P16050 1/20 0.45
PPARG P37231 2/20 0.43
PPARA Q07869 1/20 0.43
CASP3 P42574 1/20 0.43
CASP7 P55210 1/20 0.43
CASP9 P55211 1/20 0.43
POLM Q9NP87 1/20 0.43
POLK Q9UBT6 1/20 0.43
POLL Q9UGP5 1/20 0.43
POLH Q9Y253 1/20 0.43
CNR2 P34972 2/20 0.40
SLC2A1 P11166 1/20 0.39
AKR1B1 P15121 1/20 0.39

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
SCHEMBL9628672 0.92 CASP3 (0.46) TOP2AKDM4EMEN1RECQLKMT2A
SCHEMBL9628129 0.88 TOP2A (0.48) TOP2AKDM4EMEN1RECQLKMT2A
SCHEMBL9627415 0.87 TOP2A (0.49) TOP2AKDM4EMEN1RECQLKMT2A
SCHEMBL9628263 0.85 CASP3 (0.47) MEN1KMT2AALOX15CASP3CASP7
SCHEMBL9628502 0.85 TOP2A (0.44) TOP2AKDM4EMEN1RECQLKMT2A
SCHEMBL9627932 0.84 TOP2A (0.48) TOP2AKDM4EMEN1RECQLKMT2A
SCHEMBL9628123 0.81 HTT (0.51) KDM4EMEN1KMT2ACASP3CASP7
SCHEMBL23271906 0.80 KDM4E (0.58) TOP2AKDM4EMEN1RECQLKMT2A
SCHEMBL30003358 0.80 KDM4E (0.58) TOP2AKDM4EMEN1RECQLKMT2A
SCHEMBL9627447 0.80 MEN1 (0.46) MEN1KMT2ACASP3CASP7CASP9

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