SCHEMBL9685342

SCHEMBL9685342

CCCCNc1cccc(O)c1NCCCC.CCCCOCCCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
PTPN1 P18031 1/20 0.39
TSHR P16473 5/20 0.38
ALDH1A1 P00352 4/20 0.38
RECQL P46063 1/20 0.37
HPGD P15428 2/20 0.37
KDM6B O15054 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
ABCB11 O95342 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADRA2B P18089 1/20 0.36
OPRD1 P41143 1/20 0.36
SCN5A Q14524 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
CA2 P00918 1/20 0.36
LMNA P02545 1/20 0.36
BLM P54132 1/20 0.36

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
SCHEMBL22580941 0.97 MAPT (0.43) GAAMAPTPTPN1TSHRALDH1A1
SCHEMBL22580920 0.96 GAA (0.40) GAAMAPTPTPN1TSHRALDH1A1
SCHEMBL22580964 0.94 GAA (0.39) GAAMAPTPTPN1TSHRALDH1A1
SCHEMBL22580974 0.94 GAA (0.39) GAAMAPTPTPN1TSHRALDH1A1
SCHEMBL22580942 0.94 GAA (0.38) GAAMAPTPTPN1TSHRALDH1A1
SCHEMBL22580937 0.91 GAA (0.38) GAAMAPTPTPN1TSHRALDH1A1
SCHEMBL1952385 0.91 KDM6B (0.42) GAAMAPTPTPN1TSHRALDH1A1
SCHEMBL22580958 0.90 IDO1 (0.35) GAAMAPTPTPN1TSHRALDH1A1
SCHEMBL22580935 0.89 CHRM2 (0.35) GAAMAPTPTPN1TSHRALDH1A1
SCHEMBL22580972 0.89 CHRM2 (0.35) GAAMAPTPTPN1TSHRALDH1A1

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-5143892-A Pressure and heat sensitive recording materials CIBA-GEIGY CORPORATION (US) 1992-09-01 US disclosed
US-5039822-A For heat or temperature sensitive recording, rapid development, colorfastness CIBA-GEIGY CORPORATION (US) 1991-08-13 US disclosed