SCHEMBL8840939

SCHEMBL8840939

CCCCCOc1cc2c3cc(OCCCCC)c(OCCCCC)cc3c3cc(C(=O)O)c(C(=O)O)cc3c2cc1OCCCCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 6/20 0.54
S1PR3 Q99500 1/20 0.54
PTPN1 P18031 1/20 0.50
PTPN6 P29350 1/20 0.50
PLA2G2A P14555 1/20 0.50
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
MEN1 O00255 1/20 0.46
NR1I2 O75469 1/20 0.46
LMNA P02545 1/20 0.46
CHRM2 P08172 1/20 0.46
CYP3A4 P08684 1/20 0.46
ADRA2A P08913 1/20 0.46
MAPT P10636 1/20 0.46
OPRK1 P41145 1/20 0.46
HTR2B P41595 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KMT2A Q03164 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL16836639 0.89 PTPN11 (0.60) PTPN11S1PR3PTPN1PTPN6PLA2G2A
SCHEMBL9011630 0.85 CYP3A4 (0.54) PTPN11S1PR3PLA2G2AMEN1NR1I2
SCHEMBL8167721 0.84 PTPN11 (0.61) PTPN11S1PR3PTPN1PTPN6PLA2G2A
SCHEMBL9004517 0.83 THRB (0.48) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL2201723 0.83 TLR8 (0.43) PLA2G2AALDH1A1HPGDMEN1NR1I2
Hydrochloric Acid SCHEMBL8154036 0.82 PTPN11 (0.60) PTPN11S1PR3PTPN1PTPN6PLA2G2A
Hydrochloric Acid SCHEMBL9038246 0.82 PTPN11 (0.60) PTPN11S1PR3PTPN1PTPN6PLA2G2A
SCHEMBL668981 0.82 PTPN11 (0.64) PTPN11S1PR3PTPN1PTPN6PLA2G2A
SCHEMBL10539639 0.82 PTPN11 (0.64) PTPN11S1PR3PTPN1PTPN6PLA2G2A
SCHEMBL4462194 0.82 PTPN11 (0.64) PTPN11S1PR3PTPN1PTPN6PLA2G2A

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-5637669-A THERMOSETTING RESIN; LIQUID CRYSTALLINE POLYMERS THE DOW CHEMICAL COMPANY (US) 1997-06-10 US disclosed
EP-0670856-A1 THERMOSETTABLE COMPOSITION CONTAINING MESOGENIC MOIETIES THE DOW CHEMICAL COMPANY (US) 1995-09-13 EP disclosed
WO-1994012556-A2 THERMOSETTABLE COMPOSITION CONTAINING DISCOTIC MESOGENIC MOIETIES THE DOW CHEMICAL COMPANY (US) 1994-06-09 WO disclosed