SCHEMBL8124252

SCHEMBL8124252

CCCCCOC(=O)c1cc2cccc(O)c2cc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.56
▸ MAPK1 P28482 2/20 0.56
▸ TP53 P04637 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ ALDH1A1 P00352 3/20 0.55
▸ LMNA P02545 2/20 0.55
▸ GRIN2D O15399 1/20 0.52
▸ GRIN2A Q12879 1/20 0.52
▸ GRIN2B Q13224 1/20 0.52
▸ GRIN2C Q14957 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ KDM4E B2RXH2 3/20 0.49
▸ KDM4A O75164 1/20 0.49
▸ KDM4C Q9H3R0 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ CNR2 P34972 1/20 0.48
▸ ESR1 P03372 1/20 0.48
▸ AKR1C4 P17516 1/20 0.48

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
SCHEMBL8115633 0.99 TSHR (0.57) TSHRMAPK1TP53CYP3A4ALDH1A1
SCHEMBL8109384 0.96 TSHR (0.55) TSHRMAPK1TP53CYP3A4ALDH1A1
SCHEMBL8119201 0.91 GRIN2D (0.56) TSHRMAPK1TP53CYP3A4ALDH1A1
SCHEMBL27970683 0.86 TSHR (0.66) TSHRMAPK1TP53CYP3A4ALDH1A1
SCHEMBL7107686 0.85 TSHR (0.68) TSHRMAPK1TP53CYP3A4ALDH1A1
SCHEMBL28355616 0.85 TSHR (0.68) TSHRMAPK1TP53CYP3A4ALDH1A1
SCHEMBL10684173 0.85 TSHR (0.68) TSHRMAPK1TP53CYP3A4ALDH1A1
SCHEMBL28099429 0.85 TSHR (0.68) TSHRMAPK1TP53CYP3A4ALDH1A1
SCHEMBL27509713 0.85 TSHR (0.68) TSHRMAPK1TP53CYP3A4ALDH1A1
SCHEMBL28099572 0.85 TSHR (0.68) TSHRMAPK1TP53CYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6060602-A Compounds for producing 2-naphthamide derivative FUJIREBIO INC. (JP) 2000-05-09 — — US disclosed
EP-0747369-B1 Method of producing 2-naphthamide derivative, and compounds for producing 2-naphthamide derivative FUJIREBIO KK (JP) 2000-05-03 — — EP disclosed
US-5917046-A Method for producing 2-naphthamide derivative, and compounds for producing 2-naphthamide derivative FUJIREBIO INC. (JP) 1999-06-29 — — US disclosed
US-5714613-A Method of producing 2-naphthamide derivative, and compounds for producing 2-naphthamide derivative FUJIREBIO INC. (JP) 1998-02-03 — — US disclosed
EP-0747369-A1 Method of producing 2-naphthamide derivative, and compounds for producing 2-naphthamide derivative FUJIREBIO Inc. (JP) 1996-12-11 — — EP disclosed
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