SCHEMBL10457684

SCHEMBL10457684

CCc1ccc2cc(OC(=O)C(C)(C)C)ccc2c1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ELANE P08246 11/20 0.60
CA2 P00918 4/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2A6 P11509 1/20 0.46
AKR1C3 P42330 2/20 0.45
AKR1C2 P52895 2/20 0.45
PTGS1 P23219 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
SCHEMBL10456636 0.97 ELANE (0.57) ELANECA2CYP1A2CYP2A6AKR1C3
SCHEMBL16189796 0.84 ELANE (0.76) ELANE
SCHEMBL28702050 0.83 ELANE (0.55) ELANECA2AKR1C3AKR1C2PTGS1
SCHEMBL10457695 0.81 CA12 (0.51) CA2CYP1A2CYP2A6AKR1C3AKR1C2
SCHEMBL10457692 0.80 KMT2A (0.50) ELANECYP1A2CYP2A6AKR1C3AKR1C2
SCHEMBL28702053 0.80 ELANE (0.51) ELANECA2AKR1C3AKR1C2PTGS1
SCHEMBL19400658 0.80 ELANE (0.59) ELANECA2
SCHEMBL12618375 0.80 ELANE (0.58) ELANECA2
SCHEMBL30339521 0.80 ELANE (0.58) ELANECA2
SCHEMBL10458100 0.79 AKR1C3 (0.54) ELANECA2CYP1A2CYP2A6AKR1C3

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