SCHEMBL7212199

SCHEMBL7212199

CCCCCCCOc1cc2c(cc1Br)C1(C)CCCC2(C)C1O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRA P10827 5/20 0.38
THRB P10828 5/20 0.38
RXRA P19793 7/20 0.38
PPARG P37231 1/20 0.38
NR1H3 Q13133 1/20 0.38
S1PR3 Q99500 2/20 0.35
S1PR2 O95136 1/20 0.35
S1PR1 P21453 1/20 0.35
LPAR2 Q9HBW0 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
HNF4A P41235 1/20 0.34
SMPD1 P17405 3/20 0.34
PTPN1 P18031 1/20 0.34

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
SCHEMBL7212192 0.82 RXRA (0.33) THRATHRBRXRAPPARGNR1H3
SCHEMBL6874366 0.81 RXRA (0.49) THRATHRBRXRAPPARGNR1H3
SCHEMBL7212269 0.80 PDK2 (0.46) THRATHRBGAA
SCHEMBL6479338 0.79 RXRA (0.47) THRATHRBRXRAPPARGNR1H3
SCHEMBL7212117 0.76 RXRA (0.33) RXRAPPARGNR1H3PTPN1
SCHEMBL2053781 0.73 THRA (0.49) THRATHRBS1PR3S1PR2S1PR1
SCHEMBL2049161 0.73 THRA (0.49) THRATHRBS1PR3S1PR2S1PR1
SCHEMBL339836 0.73 THRA (0.49) THRATHRBS1PR3S1PR2S1PR1
SCHEMBL197292 0.73 THRA (0.49) THRATHRBS1PR3S1PR2S1PR1
SCHEMBL339687 0.73 THRA (0.49) THRATHRBS1PR3S1PR2S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6610877-B1 Treating photo and/or age damaged skin HOFFMAN-LA ROCHE INC. 2003-08-26 US disclosed
EP-0641759-B1 Use of aromatic carboxylic derivatives for the preparation of drugs HOFFMANN LA ROCHE (CH) 1998-12-09 EP disclosed
US-5700836-A TOPICALLY ADMINISTERING TO TREAT PHOTODAMAGED SKIN HOFFMANN-LA ROCHE INC. (US) 1997-12-23 US disclosed
EP-0641759-A1 Aromatic carboxylic acid derivatives, their preparation and drugs containing these derivatives F. HOFFMANN-LA ROCHE AG (CH) 1995-03-08 EP disclosed