SCHEMBL9763773

SCHEMBL9763773

O=Cc1cc2cc3c(cc2cc1C=O)OCO3

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
HPGD P15428 1/20 0.53
ALDH1A1 P00352 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
HSD17B10 Q99714 1/20 0.50
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
KMT2A Q03164 2/20 0.41
ERN1 O75460 1/20 0.39
CA2 P00918 1/20 0.37
CYP3A4 P08684 2/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 1/20 0.35
THRB P10828 1/20 0.35
BLM P54132 1/20 0.35
ATM Q13315 1/20 0.34
CMA1 P23946 1/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34

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
SCHEMBL14070022 0.88 LMNA (0.64) LMNAHPGDALDH1A1TDP1HSD17B10
SCHEMBL27869197 0.78 LMNA (0.55) LMNAHPGDALDH1A1TDP1HSD17B10
SCHEMBL11618977 0.78 ALDH1A1 (0.44) LMNAHPGDALDH1A1TDP1HSD17B10
SCHEMBL268773 0.77 TDP1 (0.44) LMNAALDH1A1TDP1KMT2AERN1
SCHEMBL2558670 0.77 CA2 (0.49) LMNAHPGDALDH1A1TDP1HSD17B10
SCHEMBL30250019 0.77 CYP3A4 (0.57) LMNAHPGDALDH1A1TDP1HSD17B10
SCHEMBL10635467 0.77 CYP3A4 (0.57) LMNAHPGDALDH1A1TDP1HSD17B10
SCHEMBL4033357 0.75 ALDH1A1 (0.69) LMNAHPGDALDH1A1TDP1HSD17B10
SCHEMBL13850503 0.75 LMNA (0.51) LMNAHPGDALDH1A1TDP1HSD17B10
SCHEMBL2890802 0.74 HPGD (0.59) LMNAHPGDALDH1A1TDP1HSD17B10

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-0237434-B1 SUBSTITUTED 2,3-NAPHTHALENEDICARBOXALDEHYDES OREAD LABORATORIES, INC. (US) 1991-12-04 EP disclosed
US-4723022-A Substituted 2,3-naphthalenedicarboxaldehydes OREAD LABORATORIES, INC. (US) 1988-02-02 US disclosed
EP-0237434-A2 Substituted 2,3-naphthalenedicarboxaldehydes OREAD LABORATORIES, INC. (US) 1987-09-16 EP disclosed