SCHEMBL20198260

SCHEMBL20198260

Cc1ccc(C(=O)c2ccc(C(=O)c3ccc(I)cc3)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.76
LMNA P02545 2/20 0.76
SRD5A2 P31213 2/20 0.64
CES2 O00748 2/20 0.54
CES1 P23141 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
TPMT P51580 1/20 0.52
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
AKR1C3 P42330 1/20 0.48
HTT P42858 3/20 0.48
PKM P14618 2/20 0.48
ATM Q13315 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
HPGD P15428 1/20 0.48
NLRP1 Q9C000 1/20 0.48
GAA P10253 1/20 0.48
MEN1 O00255 1/20 0.48
NTSR1 P30989 1/20 0.48

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
SCHEMBL10075868 1.00 ALDH1A1 (0.76) ALDH1A1LMNASRD5A2CES2CES1
SCHEMBL18652852 0.88 LMNA (0.59) ALDH1A1LMNASRD5A2CES2CES1
SCHEMBL9389844 0.87 TPMT (0.65) ALDH1A1LMNASRD5A2SMN1; SMN2TPMT
SCHEMBL1244094 0.87 TPMT (0.65) ALDH1A1LMNASRD5A2SMN1; SMN2TPMT
SCHEMBL3841301 0.87 TPMT (0.65) ALDH1A1LMNASRD5A2SMN1; SMN2TPMT
SCHEMBL822185 0.87 ALDH1A1 (1.00) ALDH1A1LMNASRD5A2CES2CES1
SCHEMBL52200 0.87 ALDH1A1 (1.00) ALDH1A1LMNASRD5A2CES2CES1
Hydrochloric Acid SCHEMBL27909743 0.85 ALDH1A1 (0.94) ALDH1A1LMNASRD5A2CES2CES1
SCHEMBL11528213 0.85 ALDH1A1 (0.94) ALDH1A1LMNASRD5A2CES2CES1
SCHEMBL21230318 0.84 ALDH1A1 (0.54) ALDH1A1LMNASRD5A2CES2CES1

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-11780962-B2 Poly(ether ketone ketone) polymers, corresponding synthesis methods and polymer compositions and articles made therefrom SOLVAY SPECIALTY POLYMERS USA, LLC (US) 2023-10-10 US disclosed
US-11732090-B2 Poly(ether ketone ketone) polymers, corresponding synthesis methods and polymer compositions and articles made therefrom SOLVAY SPECIALTY POLYMERS USA, LLC (US) 2023-08-22 US disclosed
US-20210253792-A1 POLY(ETHER KETONE KETONE) (PEKK) POLYMER AND COMPOSITES CYTEC INDUSTRIES INC. 2021-08-19 US disclosed
EP-1675930-B1 NEW MATERIALS FOR ELECTROLUMINESCENCE AND THE UTILIZATION THEREOF MERCK PATENT GMBH (DE) 2018-05-30 EP disclosed