SCHEMBL10458100

SCHEMBL10458100

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.54
AKR1C2 P52895 3/20 0.54
ELANE P08246 2/20 0.50
CYP1A2 P05177 2/20 0.47
CYP2A6 P11509 1/20 0.47
ALOX15 P16050 1/20 0.46
PTGS1 P23219 1/20 0.45
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
MAOA P21397 1/20 0.43
SLC6A2 P23975 1/20 0.43
RAB9A P51151 1/20 0.43
SLC6A3 Q01959 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA2 P00918 1/20 0.43
ADRB2 P07550 1/20 0.42

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
SCHEMBL10457999 0.97 AKR1C3 (0.51) AKR1C3AKR1C2ELANECYP1A2CYP2A6
SCHEMBL10457695 0.86 CA12 (0.51) AKR1C3AKR1C2CYP1A2CYP2A6PTGS1
SCHEMBL14116625 0.86 ELANE (0.61) AKR1C3AKR1C2ELANEALOX15RAB9A
SCHEMBL17806176 0.86 AKR1C3 (0.49) AKR1C3AKR1C2ELANECYP1A2ALOX15
SCHEMBL10458002 0.83 CYP1A2 (0.52) AKR1C3AKR1C2CYP1A2CYP2A6PTGS1
SCHEMBL25628533 0.82 CYP1A2 (0.53) AKR1C3AKR1C2CYP1A2CYP2A6PTGS1
Bromide SCHEMBL11275662 0.82 ADRB2 (0.49) AKR1C3AKR1C2ELANECYP1A2ALOX15
SCHEMBL10457692 0.81 KMT2A (0.50) AKR1C3AKR1C2ELANECYP1A2CYP2A6
SCHEMBL11996303 0.81 ELANE (0.57) ELANECYP1A2CYP2A6KDM4EMAPT
SCHEMBL31322986 0.81 ELANE (0.57) ELANECYP1A2CYP2A6KDM4EMAPT

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