SCHEMBL9627754

SCHEMBL9627754

CCCCCC(=O)Oc1cc(OC)c(OC(=O)CCCCC)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
EPHX2 P34913 1/20 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
TRPV1 Q8NER1 5/20 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

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
SCHEMBL9628328 0.96 TOP2A (0.46) TOP2AKDM4EMEN1RECQLKMT2A
SCHEMBL9629315 0.95 TOP2A (0.48) TOP2AKDM4EMEN1RECQLKMT2A
SCHEMBL9627564 0.92 ALOX15 (0.43) TOP2AKDM4EMEN1RECQLKMT2A
SCHEMBL9627943 0.88 TRPV1 (0.47) TOP2AMEN1KMT2AALOX15TRPV1
SCHEMBL9627415 0.88 TOP2A (0.49) TOP2AKDM4EMEN1RECQLKMT2A
SCHEMBL9628129 0.87 TOP2A (0.48) TOP2AKDM4EMEN1RECQLKMT2A
SCHEMBL10704787 0.86 TOP2A (0.46) TOP2AALOX15EPHX2POLMPOLK
SCHEMBL23271712 0.85 HTT (0.57) TOP2AKDM4EMEN1RECQLKMT2A
SCHEMBL30004154 0.85 HTT (0.57) TOP2AKDM4EMEN1RECQLKMT2A
SCHEMBL30004209 0.85 ALOX15 (0.50) 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-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