SCHEMBL8722690

SCHEMBL8722690

CC(=O)Oc1cc2c(c3ccccc13)C=CC(c1ccccc1)(c1ccccc1)O2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.43
TSHR P16473 3/20 0.41
KDM4E B2RXH2 6/20 0.35
ALDH1A1 P00352 6/20 0.35
HSD17B10 Q99714 3/20 0.35
HPGD P15428 2/20 0.35
ESR1 P03372 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
HMGB1 P09429 1/20 0.35
GGT1 P19440 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
BLM P54132 1/20 0.35
NAPRT Q6XQN6 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
SHMT2 P34897 1/20 0.34
PTPN1 P18031 3/20 0.34
MAPT P10636 6/20 0.33

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
SCHEMBL8445339 0.90 BACE1 (0.40) HTTTSHRKDM4EALDH1A1HSD17B10
SCHEMBL5094598 0.89 HTT (0.37) HTTTSHRKDM4EALDH1A1HSD17B10
SCHEMBL8724020 0.79 MAPT (0.41) TSHRKDM4EALDH1A1HSD17B10HPGD
SCHEMBL7888138 0.79 HTT (0.36) HTTTSHRKDM4EALDH1A1HSD17B10
SCHEMBL7128812 0.78 MAPT (0.40) HTTKDM4EALDH1A1TDP1MAPT
SCHEMBL7120307 0.76 HIF1A (0.36) HTTALDH1A1HPGDPTPN1LMNA
SCHEMBL7553115 0.75 PDE4D (0.39) HTTTSHRKDM4EALDH1A1HSD17B10
SCHEMBL13219265 0.73 CNR1 (0.32)
SCHEMBL8782636 0.73 GPR84 (0.39) KDM4EALDH1A1HPGDPTGS1PTGS2
SCHEMBL1387363 0.72 BCHE (0.35) HTTKDM4EALDH1A1PTPN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5744070-A Photochromic substituted naphthopyran compounds TRANSITIONS OPTICAL, INC. (US) 1998-04-28 US claimed
US-5744070-A Photochromic substituted naphthopyran compounds TRANSITIONS OPTICAL, INC. (US) 1998-04-28 US disclosed