SCHEMBL9148441

SCHEMBL9148441

CCOC(=O)c1ccc(C=C(C)c2ccc3c(c2)SCCCC3)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 11/20 0.52
RARG P13631 11/20 0.52
RARA P10276 10/20 0.52
RXRA P19793 3/20 0.42
MAPT P10636 3/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPK1 P28482 1/20 0.41
NPC1 O15118 4/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 3/20 0.40
HSD17B10 Q99714 2/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 3/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ESR1 P03372 1/20 0.38

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
SCHEMBL9148433 1.00 RARB (0.52) RARBRARGRARARXRAMAPT
SCHEMBL9144382 0.93 RARB (0.51) RARBRARGRARARXRAMAPT
SCHEMBL9144389 0.93 RARB (0.51) RARBRARGRARARXRAMAPT
SCHEMBL9196746 0.88 RARB (0.54) RARBRARGRARARXRAMAPT
SCHEMBL9196751 0.88 RARB (0.54) RARBRARGRARARXRAMAPT
SCHEMBL9419050 0.85 HPGD (0.44) RARBRARGRARAMAPTKDM4E
SCHEMBL9419049 0.85 HPGD (0.44) RARBRARGRARAMAPTKDM4E
SCHEMBL9142983 0.85 RARB (0.56) RARBRARGRARARXRAMAPT
SCHEMBL9142979 0.85 RARB (0.56) RARBRARGRARARXRAMAPT
SCHEMBL8460775 0.84 RARG (0.61) RARBRARGRARARXRAKDM4E

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
EP-0350846-B1 Condensed heterocyclic compounds and their use in therapy HOFFMANN LA ROCHE (CH) 1995-10-11 EP claimed
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