SCHEMBL9040757

SCHEMBL9040757

C=C(Cl)COC(=O)CC(C)OC(=O)c1cc(N)ccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.37
CHRM2 P08172 1/20 0.35
CHRM3 P20309 1/20 0.35
MAOA P21397 1/20 0.35
HTR2C P28335 1/20 0.35
CHRNA4 P43681 1/20 0.35
HTR3A P46098 1/20 0.35
KCNH2 Q12809 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
KDM4E B2RXH2 4/20 0.34
USP2 O75604 1/20 0.34
P2RX7 Q99572 1/20 0.34
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL25292601 0.86 CYP4F2 (0.44) HPGDCHRM2CHRM3MAOAHTR2C
SCHEMBL31518037 0.86 CYP4F2 (0.44) HPGDCHRM2CHRM3MAOAHTR2C
SCHEMBL25292600 0.86 CYP4F2 (0.44) HPGDCHRM2CHRM3MAOAHTR2C
SCHEMBL9041850 0.81 HPGD (0.33) HPGDKDM4EUSP2CYP4F2CYP4A11
SCHEMBL30987194 0.74 CYP4F2 (0.42) HPGDCHRM2CHRM3MAOAHTR2C
SCHEMBL9240773 0.74 KDM4E (0.36) HPGDCHRM2CHRM3MAOAHTR2C
SCHEMBL1274929 0.74 ALDH1A1 (0.51) HPGDCHRM2CHRM3MAOAHTR2C
SCHEMBL9118826 0.72 NPSR1 (0.35) HPGDKDM4EUSP2ALDH1A1KMT2A
SCHEMBL9039924 0.72 KMT2A (0.34) HPGDKDM4EUSP2ALDH1A1KMT2A
SCHEMBL30577304 0.71 HPGD (0.53) HPGDCYP4F2CYP4A11ALDH1A1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0741733-A1 PHENYLIMINO-THIADIAZABICYCLOALKANE DERIVATIVES, PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES Novartis AG (CH) 1996-11-13 EP disclosed
WO-1995021174-A1 PHENYLIMINO-THIADIAZABICYCLOALKANE DERIVATIVES, PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES CIBA-GEIGY AG (CH) 1995-08-10 WO disclosed