SCHEMBL6474822

SCHEMBL6474822

O=C(OC1CC2C=CC1C2)c1cccc2c1Cc1ccccc1C2

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 6/20 0.34
ALDH1A1 P00352 3/20 0.33
HPGD P15428 1/20 0.33
GAA P10253 1/20 0.33
ATM Q13315 1/20 0.33
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL6475500 0.83 HTR2B (0.43) ALDH1A1HPGDGAAATMSMN1; SMN2
SCHEMBL6475721 0.79 SRD5A2 (0.40) TRPA1ALDH1A1HPGDKDM4EMAPT
SCHEMBL2899404 0.78 BCHE (0.46) ALDH1A1HPGDGAAATMSMN1; SMN2
SCHEMBL2899217 0.75 SCN1A (0.49) ALDH1A1GAALMNASMN1; SMN2TSHR
SCHEMBL2896264 0.74 SRD5A2 (0.51) ALDH1A1HPGDGAALMNACYP3A4
SCHEMBL6481509 0.74 SRD5A2 (0.45) TRPA1ALDH1A1HPGDLMNACYP3A4
SCHEMBL2899524 0.74 CHRM2 (0.47)
SCHEMBL6481266 0.73 CHRM3 (0.44) ALDH1A1GAAATMKDM4ETDP1
SCHEMBL12692038 0.72 POLB (0.40) ALDH1A1LMNAKDM4E
SCHEMBL5057179 0.70 ALDH1A1 (0.40) ALDH1A1HPGDGAAATMCYP3A4

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
US-6846890-B2 Norbornene derivative and norbornene polymer obtained therefrom through ring opening polymerization JSR CORPORATION (JP) 2005-01-25 US disclosed
US-20040242824-A1 NORBORNENE DERIVATIVE AND NORBORNENE POLYMER OBTAINED THEREFROM THROUGH RING OPENING POLYMERIZATION JSR CORPORATION (JP) 2004-12-02 US disclosed
EP-1435350-A1 NORBORNENE DERIVATIVE AND NORBORNENE POLYMER OBTAINED THEREFROM THROUGH RING-OPENING POLYMERIZATION JSR Corporation (JP) 2004-07-07 EP disclosed