SCHEMBL9677237

SCHEMBL9677237

CCCCCCCCCCCCCCOc1ccccc1-c1ccccc1C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 6/20 0.70
LMNA P02545 2/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
CYP3A4 P08684 2/20 0.62
NR1I2 O75469 1/20 0.62
CHRM2 P08172 1/20 0.62
ADRA2A P08913 1/20 0.62
MAPT P10636 1/20 0.62
OPRK1 P41145 1/20 0.62
HTR2B P41595 1/20 0.62
SLC6A3 Q01959 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62
PTPN1 P18031 4/20 0.55
NPSR1 Q6W5P4 1/20 0.53
TSHR P16473 2/20 0.53
ALDH1A1 P00352 1/20 0.53
KDM4E B2RXH2 2/20 0.51
RECQL P46063 1/20 0.51
S1PR3 Q99500 1/20 0.51

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
SCHEMBL10752229 1.00 PTPN11 (0.70) PTPN11LMNAMEN1KMT2ACYP3A4
SCHEMBL7330154 1.00 PTPN11 (0.70) PTPN11LMNAMEN1KMT2ACYP3A4
SCHEMBL10749093 1.00 PTPN11 (0.70) PTPN11LMNAMEN1KMT2ACYP3A4
SCHEMBL9330862 1.00 PTPN11 (0.70) PTPN11LMNAMEN1KMT2ACYP3A4
SCHEMBL10748772 1.00 PTPN11 (0.70) PTPN11LMNAMEN1KMT2ACYP3A4
SCHEMBL10751579 1.00 PTPN11 (0.70) PTPN11LMNAMEN1KMT2ACYP3A4
SCHEMBL10748478 1.00 PTPN11 (0.70) PTPN11LMNAMEN1KMT2ACYP3A4
SCHEMBL10751527 1.00 PTPN11 (0.70) PTPN11LMNAMEN1KMT2ACYP3A4
Hydrochloric Acid SCHEMBL9723769 0.99 PTPN11 (0.68) PTPN11LMNAMEN1KMT2ACYP3A4
SCHEMBL10747218 0.98 PTPN11 (0.67) PTPN11LMNAMEN1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5091557-A AMINO ACID DERIVATIVE HAVING LIQUID CRYSTAL PROPERTY AND PROCESS FOR PRODUCTION OF THE SAME SHOWA DENKO K.K. (JP) 1992-02-25 US disclosed
US-5041602-A Cinnamic acid used as inexpensive starting material SHOWA DENKO K.K. (JP) 1991-08-20 US disclosed
EP-0239444-A1 Ferroelectric liquid crystal, process for its manufacture and its use in a liquid-crystal mixture THOMSON-CSF (FR) 1987-09-30 EP disclosed