SCHEMBL11340243

SCHEMBL11340243

O=C(OCCCl)N(CCl)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
HTT P42858 3/20 0.44
PAX8 Q06710 3/20 0.44
GLA P06280 2/20 0.44
KMT2A Q03164 4/20 0.42
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TSHR P16473 1/20 0.42
CHRNB2 P17787 2/20 0.41
CHRNB4 P30926 2/20 0.41
CHRNA3 P32297 2/20 0.41
CHRNA4 P43681 2/20 0.41
JAK2 O60674 1/20 0.39
MEN1 O00255 3/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL11349155 0.83 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL510392 0.83 SMN1; SMN2 (0.54) ALDH1A1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL9359355 0.81 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL9363696 0.79 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL9359346 0.77 L3MBTL1 (0.59) ALDH1A1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL11287043 0.75 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL11341664 0.75 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL12179490 0.74 FABP5 (0.47) ALDH1A1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL28097397 0.74 RORC (0.41) ALDH1A1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL9679324 0.74 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2NPC1RAB9AHTT

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-RE30578-E PLANT GROWTH REGULATORS BAYER AKTIENGESELLSCHAFT (DE) 1981-04-14 US disclosed
US-4093447-A N-Arylcarbamic acid esters and plant growth regulant compositions and methods BAYER AKTIENGESELLSCHAFT (DT) 1978-06-06 US disclosed