SCHEMBL10958809

SCHEMBL10958809

CCC(Cl)C(=O)N(c1ccccc1)C(C)COC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
THRB P10828 1/20 0.37
HPGD P15428 2/20 0.36
KDM4E B2RXH2 2/20 0.36
RAB9A P51151 2/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
GLA P06280 1/20 0.35
TSHR P16473 1/20 0.35
PGR P06401 1/20 0.35
ADRA2A P08913 1/20 0.35

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
SCHEMBL10964289 0.89 LMNA (0.41) ALDH1A1LMNASMN1; SMN2TP53CHRNB2
SCHEMBL10896771 0.87 ALDH1A1 (0.46) ALDH1A1LMNASMN1; SMN2TP53CHRNB2
SCHEMBL11451628 0.86 POLQ (0.40) ALDH1A1LMNASMN1; SMN2TP53THRB
SCHEMBL17377307 0.83 KDM4E (0.42) ALDH1A1LMNASMN1; SMN2TP53THRB
SCHEMBL6642557 0.83 KDM4E (0.42) ALDH1A1LMNASMN1; SMN2TP53THRB
SCHEMBL10582383 0.78 ALDH1A1 (0.67) ALDH1A1LMNASMN1; SMN2TP53CHRNB2
SCHEMBL11440952 0.78 MEN1 (0.33) ALDH1A1LMNASMN1; SMN2THRBHPGD
SCHEMBL10962754 0.74 ALDH1A1 (0.46) ALDH1A1LMNASMN1; SMN2TP53CHRNB2
SCHEMBL11130398 0.74 ALDH1A1 (0.42) ALDH1A1LMNASMN1; SMN2TP53KDM4E
SCHEMBL5370757 0.73 ALDH1A1 (0.46) ALDH1A1LMNASMN1; SMN2TP53CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4532732-A PLANT SAFENING AGENTS AND CHLOROACETANILIDE HERBICIDES FOR SERGHUM, RICE AND BARLEY CIBA-GEIGY CORPORATION (US) 1985-08-06 US disclosed
US-4497648-A ANTIDOTES FOR HERBICIDES FOR PLANTS CIBA-GEIGY CORPORATION (US) 1985-02-05 US disclosed
US-4227917-A Phenylglyoxylonitrile-2-oxime-cyanomethyl ether as a crop safener CIBA-GEIGY CORPORATION (US) 1980-10-14 US disclosed
US-4225334-A USED WITH HERBICIDES CIBA-GEIGY CORPORATION (US) 1980-09-30 US disclosed
US-4220464-A Phenylglyoxylonitrile-2-oxime-cyanomethyl ether as plant growth regulator CIBA-GEIGY CORPORATION (US) 1980-09-02 US disclosed
US-4152137-A PREEMERGENCE HERBICIDES CIBA-GEIGY CORPORATION (US) 1979-05-01 US disclosed