SCHEMBL11239735

SCHEMBL11239735

CCCCCCCCCCCCCCCCNc1ccc(/C=C/C(=O)OCC(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.48
APP P05067 5/20 0.47
POLB P06746 1/20 0.47
LMNA P02545 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PLK1 P53350 2/20 0.42
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41

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
SCHEMBL11239738 1.00 EGFR (0.48) EGFRAPPPOLBLMNACA12
SCHEMBL11229891 0.89 CA12 (0.57) EGFRAPPPOLBCA12CA1
SCHEMBL11229892 0.89 CA12 (0.57) EGFRAPPPOLBCA12CA1
SCHEMBL11239625 0.85 LMNA (0.60) EGFRAPPLMNACA12CA1
SCHEMBL11239628 0.85 LMNA (0.60) EGFRAPPLMNACA12CA1
SCHEMBL11233360 0.84 TDP1 (0.44) EGFRAPPLMNACA12CA1
SCHEMBL11233355 0.84 TDP1 (0.44) EGFRAPPLMNACA12CA1
SCHEMBL11241213 0.83 APP (0.51) EGFRAPPCA12CA1CA2
SCHEMBL11241216 0.83 APP (0.51) EGFRAPPCA12CA1CA2
SCHEMBL11232269 0.83 TDP1 (0.47) EGFRAPPPOLBLMNACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4348399-A Antiatherosclerotic and hypolipidemic 4-(monoalkylamino)phenyl alkane, alkene and alkyne carbinols, aldehydes, carboxylic acids and derivatives AMERICAN CYANAMID COMPANY (US) 1982-09-07 US disclosed