SCHEMBL9488976

SCHEMBL9488976

CCCCOC(=O)C12C=CC(C1)C(C)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 4/20 0.36
ATM Q13315 1/20 0.34
ESR1 P03372 3/20 0.33
BCHE P06276 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPK1 P28482 3/20 0.33
CYP3A4 P08684 3/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 3/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2D6 P10635 1/20 0.32
NR1H2 P55055 1/20 0.32
RNASEL Q05823 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ELANE P08246 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
SCHEMBL2350192 0.74 ALDH1A1 (0.36) TSHRL3MBTL1TDP1ALDH1A1ATM
SCHEMBL4336336 0.70 MEN1 (0.33) TSHRL3MBTL1TDP1ALDH1A1ATM
SCHEMBL6445704 0.70 ALDH1A1 (0.33) TSHRL3MBTL1TDP1ALDH1A1ATM
SCHEMBL28550237 0.69 NAAA (0.38) TSHRALDH1A1MAPK1CYP3A4TP53
SCHEMBL10591972 0.69 NAAA (0.38) TSHRALDH1A1MAPK1CYP3A4TP53
SCHEMBL10595248 0.69 NAAA (0.38) TSHRALDH1A1MAPK1CYP3A4TP53
SCHEMBL10592103 0.69 NAAA (0.38) TSHRALDH1A1MAPK1CYP3A4TP53
SCHEMBL10595092 0.69 NAAA (0.38) TSHRALDH1A1MAPK1CYP3A4TP53
SCHEMBL8597513 0.69 ALDH1A1 (0.36) TSHRL3MBTL1TDP1ALDH1A1ATM
SCHEMBL1451329 0.65 PPM1B (0.31) TSHRTDP1ALDH1A1HSD17B10MAPK1

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-0251033-B1 METATHESIS POLYMERIZATION OF CYCLOOLEFINS HERCULES INCORPORATED (US) 1993-03-03 EP disclosed
US-4900799-A Metathesis polymerization of cycloolefins TEIJIN LIMITED (JP) 1990-02-13 US disclosed
EP-0251033-A2 Metathesis polymerization of cycloolefins HERCULES INCORPORATED (US) 1988-01-07 EP disclosed