SCHEMBL9628129

SCHEMBL9628129

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
RECQL P46063 1/20 0.47
KMT2A Q03164 1/20 0.47
ALOX15 P16050 2/20 0.46
TRPV1 Q8NER1 10/20 0.44
POLM Q9NP87 1/20 0.43
POLK Q9UBT6 1/20 0.43
POLL Q9UGP5 1/20 0.43
POLH Q9Y253 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43

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
SCHEMBL9627982 0.92 ALOX5 (0.43) KDM4EMEN1RECQLKMT2AALOX15
SCHEMBL9628078 0.88 TOP2A (0.49) TOP2AKDM4EMEN1RECQLKMT2A
SCHEMBL9627754 0.87 TOP2A (0.48) TOP2AKDM4EMEN1RECQLKMT2A
SCHEMBL9629315 0.87 TOP2A (0.48) TOP2AKDM4EMEN1RECQLKMT2A
SCHEMBL9627534 0.85 L3MBTL1 (0.43) MEN1KMT2AALOX15ALDH1A1CYP1A2
SCHEMBL9628328 0.83 TOP2A (0.46) TOP2AKDM4EMEN1RECQLKMT2A
SCHEMBL23271906 0.81 KDM4E (0.58) TOP2AKDM4EMEN1RECQLKMT2A
SCHEMBL30003358 0.81 KDM4E (0.58) TOP2AKDM4EMEN1RECQLKMT2A
SCHEMBL23271970 0.80 KDM4E (0.56) TOP2AKDM4EMEN1RECQLKMT2A
SCHEMBL23271803 0.80 KDM4E (0.56) TOP2AKDM4EMEN1RECQLKMT2A

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-0282056-A2 Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-09-14 EP disclosed
EP-0282006-A1 Naphtalene 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