SCHEMBL9628328

SCHEMBL9628328

CCCCCC(=O)Oc1c(OC)cc(OC)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.46
EPHX2 P34913 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
RECQL P46063 1/20 0.45
ALOX15 P16050 2/20 0.44
TRPV1 Q8NER1 5/20 0.44
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
SLC2A1 P11166 1/20 0.42

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
SCHEMBL9627754 0.96 TOP2A (0.48) TOP2AEPHX2MEN1KMT2AKDM4E
SCHEMBL9629315 0.91 TOP2A (0.48) TOP2AEPHX2MEN1KMT2AKDM4E
SCHEMBL9627943 0.90 TRPV1 (0.47) TOP2AMEN1KMT2AALOX15TRPV1
SCHEMBL9627564 0.87 ALOX15 (0.43) TOP2AMEN1KMT2AKDM4ERECQL
SCHEMBL9628751 0.84 MEN1 (0.42) MEN1KMT2AKDM4EALOX15ALDH1A1
SCHEMBL9627415 0.84 TOP2A (0.49) TOP2AMEN1KMT2AKDM4ERECQL
SCHEMBL29368692 0.84 KMT2A (0.51) EPHX2MEN1KMT2AKDM4ERECQL
SCHEMBL20398450 0.84 KMT2A (0.51) EPHX2MEN1KMT2AKDM4ERECQL
SCHEMBL21396955 0.83 EPHX2 (0.47) TOP2AEPHX2MEN1KMT2AKDM4E
SCHEMBL9628129 0.83 TOP2A (0.48) TOP2AMEN1KMT2AKDM4ERECQL

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