SCHEMBL9312437

SCHEMBL9312437

O=C(O)c1ccc2c(C(=O)O)cc3cccc4ccc1c2c43

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
HSD17B10 Q99714 4/20 0.53
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 3/20 0.53
HPGD P15428 3/20 0.53
CYP1A2 P05177 2/20 0.53
GLA P06280 1/20 0.53
POLB P06746 1/20 0.53
CYP2D6 P10635 1/20 0.53
PTPN1 P18031 1/20 0.50
NR4A1 P22736 1/20 0.48
NR4A2 P43354 1/20 0.48
NR4A3 Q92570 1/20 0.48
RXFP1 Q9HBX9 2/20 0.47
TSHR P16473 1/20 0.47
GRIN2D O15399 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46

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
SCHEMBL19177661 0.93 NR4A1 (0.53) KMT2AMEN1HSD17B10ALDH1A1KDM4E
SCHEMBL10478169 0.89 KMT2A (0.60) KMT2AMEN1HSD17B10ALDH1A1KDM4E
SCHEMBL29350533 0.89 HSD17B10 (0.64) KMT2AMEN1HSD17B10ALDH1A1KDM4E
SCHEMBL242958 0.89 HSD17B10 (0.64) KMT2AMEN1HSD17B10ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL8600808 0.87 HSD17B10 (0.62) KMT2AMEN1HSD17B10ALDH1A1KDM4E
SCHEMBL28673575 0.87 HSD17B10 (0.62) KMT2AMEN1HSD17B10ALDH1A1KDM4E
Ammonia Solution, Strong SCHEMBL31590520 0.87 HSD17B10 (0.62) KMT2AMEN1HSD17B10ALDH1A1KDM4E
Methyl Alcohol SCHEMBL28488780 0.85 ALDH1A1 (0.60) KMT2AMEN1HSD17B10ALDH1A1KDM4E
Formaldehyde SCHEMBL28435516 0.85 HSD17B10 (0.60) KMT2AMEN1HSD17B10ALDH1A1KDM4E
SCHEMBL28910870 0.84 NR4A1 (0.55) KMT2AMEN1HSD17B10ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107614097-B Production of metal-organic frameworks 联邦科学与工业研究组织 2020-02-14 CN disclosed
US-5280060-A Polyamide from hexamethylenetetramine and(or) 1,12-diaminododecane SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-01-18 US disclosed
EP-0469542-A2 Thermoplastic resin composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-02-05 EP disclosed
US-4303548-A Process for coating dispersed minute droplets with membrane MITSUBISHI PAPER MILLS, LTD. (JP) 1981-12-01 US disclosed