SCHEMBL9145102

SCHEMBL9145102

CC(O)c1ccc2c(c1)SCC(C)(C)CC2

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 1/20 0.36
UGT2B7 P16662 1/20 0.34
MEN1 O00255 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
CSF1R P07333 1/20 0.30

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
SCHEMBL9141467 0.81 NOX1 (0.43) NOX1UGT2B7MEN1TSHRKMT2A
SCHEMBL9143998 0.75 UGT2B7 (0.36) NOX1UGT2B7MEN1TSHRKMT2A
SCHEMBL9419052 0.74 UGT2B7 (0.35) NOX1UGT2B7MEN1TSHRKMT2A
SCHEMBL31085264 0.72 RXRA (0.41) NOX1UGT2B7
SCHEMBL31003100 0.71 RXRA (0.40) UGT2B7MEN1TSHRKMT2A
SCHEMBL9147995 0.71 RXRA (0.38) NOX1UGT2B7MEN1TSHRKMT2A
SCHEMBL9418988 0.71 HTR2A (0.33) UGT2B7
SCHEMBL25668108 0.68 RECQL (0.33) TSHRKMT2A
SCHEMBL10557217 0.68 RARA (0.45) NOX1UGT2B7KMT2A
SCHEMBL31085011 0.68 KMT2A (0.36) UGT2B7MEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0350846-B1 Condensed heterocyclic compounds and their use in therapy HOFFMANN LA ROCHE (CH) 1995-10-11 EP disclosed
US-5420273-A Skin disorders and antitumor agents HOFFMAN-LA ROCHE INC. (US) 1995-05-30 US disclosed
US-5300522-A Treating inflammatory, allergic, rheumatic, immunological disorders HOFFMANN-LA ROCHE INC. (US) 1994-04-05 US disclosed
US-5164387-A Antitumor agents, skin disorders, antiinflammatory agents HOFFMANN-LAROCHE INC. (US) 1992-11-17 US disclosed
US-5037825-A Useful In The Treatment Of Neoplasms, Dermatoses And Aging Of The Skin HOFFMANN-LA ROCHE INC. (US) 1991-08-06 US disclosed
EP-0350846-A2 Condensed heterocyclic compounds and their use in therapy F. HOFFMANN-LA ROCHE AG (CH) 1990-01-17 EP disclosed