SCHEMBL6555579

SCHEMBL6555579

CCOC(=O)C=C(C)C=CC=C(C)c1cc(Br)cc(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 16/20 0.45
RARG P13631 13/20 0.45
RARA P10276 6/20 0.45
RARB P10826 6/20 0.45
RXRB P28702 4/20 0.45
RXRG P48443 4/20 0.45
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
PPARG P37231 9/20 0.39
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL6555568 1.00 RXRA (0.45) RXRARARGRARARARBRXRB
SCHEMBL6555573 1.00 RXRA (0.45) RXRARARGRARARARBRXRB
SCHEMBL8146546 0.83 RXRA (0.68) RXRARARGRARARARBRXRB
SCHEMBL8145943 0.83 RXRA (0.68) RXRARARGRARARARBRXRB
SCHEMBL6553357 0.82 NPSR1 (0.43) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL6553355 0.82 NPSR1 (0.43) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL6553808 0.81 RXRA (0.65) RXRARARGRARARARBRXRB
SCHEMBL6553805 0.81 RXRA (0.65) RXRARARGRARARARBRXRB
SCHEMBL6553800 0.81 RXRA (0.65) RXRARARGRARARARBRXRB
SCHEMBL10553569 0.79 KDM4E (0.43) RXRARARGRARARARBRXRB

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
EP-1149067-B1 7-ARYL-6(Z)HEPTATRIENOIC ACID RETINAMIDES AS APOPTOSIS INDUCING COMPOUNDS AND THEIR USE AS ANTI-CANCER AGENTS HOFFMANN LA ROCHE (CH) 2004-02-25 EP disclosed
EP-1149067-A1 7-ARYL-6(Z)HEPTATRIENOIC ACID RETINAMIDES AS APOPTOSIS INDUCING COMPOUNDS AND THEIR USE AS ANTI-CANCER AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 EP disclosed
US-6310247-B1 HAS APOPTOTIC ACTIVITY USEFUL FOR PROPHYLAXIS AND THERAPY OF CANCER HOFFMANN-LA ROCHE INC. 2001-10-30 US disclosed
WO-2000035856-A1 7-ARYL-6(Z)HEPTATRIENOIC ACID RETINAMIDES AS APOPTOSIS INDUCING COMPOUNDS AND THEIR USE AS ANTI-CANCER AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO disclosed