SCHEMBL7786735

SCHEMBL7786735

C=C/C=C(C)/C(C)=C(\C)C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
FGFR4 P22455 1/20 0.33
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32

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
SCHEMBL7786737 1.00 TDP1 (0.38) TDP1ALDH1A1TSHRFGFR4LMNA
SCHEMBL195938 0.82
SCHEMBL16168277 0.82
SCHEMBL195936 0.82
Acetic Acid SCHEMBL23406881 0.78 TDP1 (0.39) TDP1ALDH1A1TSHRFGFR4LMNA
SCHEMBL21163686 0.74
SCHEMBL4779556 0.72 LMNA (0.58) TDP1ALDH1A1TSHRLMNAALOX15
SCHEMBL4141273 0.72 LMNA (0.58) TDP1ALDH1A1TSHRLMNAALOX15
SCHEMBL27696587 0.72 LMNA (0.58) TDP1ALDH1A1TSHRLMNAALOX15
SCHEMBL27300594 0.71 ALDH1A1 (0.31) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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