SCHEMBL10457692

SCHEMBL10457692

CCC(=O)Oc1ccc2cc(CC)ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
ACHE P22303 2/20 0.50
ESR1 P03372 2/20 0.50
HIF1A Q16665 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
RECQL P46063 1/20 0.50
CYP1A2 P05177 2/20 0.48
CYP2A6 P11509 1/20 0.48
PDGFRB P09619 1/20 0.48
PDGFRA P16234 1/20 0.48
AKR1C3 P42330 2/20 0.47
AKR1C2 P52895 2/20 0.47
PTGS1 P23219 1/20 0.46
ELANE P08246 1/20 0.46
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL10456654 0.97 CYP1A2 (0.50) KMT2AACHEESR1HIF1ASMN1; SMN2
SCHEMBL10457695 0.84 CA12 (0.51) KMT2AACHESMN1; SMN2CYP1A2CYP2A6
SCHEMBL1512672 0.83 KMT2A (0.63) KMT2AACHEESR1HIF1ASMN1; SMN2
SCHEMBL4441141 0.82 PDGFRB (0.61) KMT2AACHEESR1HIF1ASMN1; SMN2
SCHEMBL4653462 0.82 KDM4E (0.53) KMT2AACHEESR1HIF1ASMN1; SMN2
SCHEMBL10456603 0.82 ACHE (0.57) KMT2AACHEESR1HIF1ASMN1; SMN2
SCHEMBL38659578 0.82 PDGFRB (0.61) KMT2AACHEESR1HIF1ASMN1; SMN2
SCHEMBL27902979 0.82 KMT2A (0.61) KMT2AACHEESR1HIF1ASMN1; SMN2
SCHEMBL18883075 0.82 AKR1C3 (0.47) KMT2AACHEESR1HIF1ASMN1; SMN2
SCHEMBL10458002 0.81 CYP1A2 (0.52) KMT2AESR1SMN1; SMN2CYP1A2CYP2A6

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-4935537-A OXIDIZING ACYLALKYLNAPHTHALENE WITH PEROXIDE, OXIDIZING PRODUCT WITH OXYGEN USING CATALYST CONTAINING COBALT AND BROMINE COMPOUNDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1990-06-19 US disclosed
US-4801737-A Process for producing acyloxynaphthoic acids MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1989-01-31 US disclosed
EP-0170273-B1 PROCESS FOR PRODUCING ACYLOXYNAPHTHOIC ACIDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1988-12-28 EP disclosed
EP-0170273-A2 Process for producing acyloxynaphthoic acids MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1986-02-05 EP disclosed