SCHEMBL7720880

SCHEMBL7720880

C=C1C(=O)CCC1C(=O)OC

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.35
HIF1A Q16665 1/20 0.35
ALDH1A1 P00352 6/20 0.35
KDM4E B2RXH2 3/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
ATM Q13315 1/20 0.35
MAPT P10636 3/20 0.34
BRD4 O60885 1/20 0.33
KMT2A Q03164 1/20 0.31
THRB P10828 1/20 0.31
PPM1B O75688 1/20 0.31
PTPN1 P18031 1/20 0.31
PPP1CC P36873 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HTT P42858 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
SCHEMBL28641852 0.78
SCHEMBL8021751 0.75 GABRP (0.30)
SCHEMBL863518 0.75 GABRP (0.30)
SCHEMBL596950 0.75 GABRP (0.30)
SCHEMBL989622 0.75
SCHEMBL3628762 0.75
SCHEMBL9440023 0.73 KDM4E (0.34) CYP1A2HIF1AALDH1A1KDM4ECYP2C9
SCHEMBL2013710 0.72 KDM4E (0.39) CYP1A2HIF1AALDH1A1KDM4ECYP2C9
SCHEMBL6024049 0.72 BRD4 (0.40) CYP1A2HIF1ABRD4
SCHEMBL14719952 0.70 MAPT (0.43) CYP1A2HIF1AALDH1A1KDM4ECYP2C9

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
US-6384063-B1 Compound having effect of promoting neuron differentiation NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2002-05-07 US disclosed
CN-1268937-A Novel compound having effect of promoting neuron differentiation NIPPON KAYAKU KK (JP) 2000-10-04 CN disclosed
US-6114364-A 2-((SUBSTITUTED)ALKYL(THIO, SULFONYL, OR SULFOXY)METHYL), 3-(CARBOXYL OR ALIPHATIC HYDROCARBONYL)CYCLOPENTAN-1-ONE DERIVATIVES, EXCEPT CYSTACYCLIN; USE AS NEURON DIFFERENTIATION ACCELERATOR NIPPON KAYAKU CO., LTD. (JP) 2000-09-05 US disclosed
EP-0999204-A1 NOVEL COMPOUND HAVING EFFECT OF PROMOTING NEURON DIFFERENTIATION Nippon Kayaku Kabushiki Kaisha (JP) 2000-05-10 EP disclosed