SCHEMBL9557549

SCHEMBL9557549

CCC(C)N(C(=O)c1ccccc1)N(CC)C(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.46
▸ HPGD P15428 3/20 0.46
▸ PGR P06401 1/20 0.46
▸ ADRA2A P08913 1/20 0.46
▸ ADRA2B P18089 1/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ HRH1 P35367 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ MAPT P10636 2/20 0.42
▸ TRPM8 Q7Z2W7 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ XBP1 P17861 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ HDAC1 Q13547 1/20 0.38

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
SCHEMBL9557674 0.87 ALDH1A1 (0.49) ALDH1A1HPGDPGRADRA2AADRA2B
SCHEMBL9558054 0.84 ALDH1A1 (0.46) ALDH1A1HPGDPGRADRA2AADRA2B
SCHEMBL9557591 0.82 ALDH1A1 (0.44) ALDH1A1HPGDPGRADRA2AADRA2B
SCHEMBL9557402 0.79 HSP90AA1 (0.37) ALDH1A1HPGDMAPTTSHRSMN1; SMN2
SCHEMBL11783815 0.78 TRPM8 (0.53) ALDH1A1HPGDPGRADRA2AADRA2B
SCHEMBL9557709 0.77 ALDH1A1 (0.49) ALDH1A1HPGDPGRADRA2AADRA2B
SCHEMBL24568139 0.76 NPY5R (0.50) ALDH1A1HPGDPGRADRA2AADRA2B
SCHEMBL27579062 0.75 ALDH1A1 (0.55) ALDH1A1HPGDPGRADRA2AADRA2B
SCHEMBL9508600 0.75 TRPM8 (0.47) ALDH1A1HPGDPGRADRA2AADRA2B
SCHEMBL28204817 0.73 ALDH1A1 (0.49) ALDH1A1HPGDPGRADRA2AADRA2B

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
US-5225443-A Lepidotera and Coleoptera insecticides to protect plants ROHM AND HAAS COMPANY (US) 1993-07-06 — — US disclosed
EP-0245950-B1 INSECTICIDAL N-SUBSTITUTED-N' - SUBSTITUTED-N, N'-DIACYLHYDRAZINES ROHM AND HAAS COMPANY (US) 1992-06-17 — — EP disclosed
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