SCHEMBL1897799

SCHEMBL1897799

C=COC(=O)c1ccccc1Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 1/20 0.49
SCN2A Q99250 1/20 0.49
SCN3A Q9NY46 1/20 0.49
TSHR P16473 2/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 5/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
NFKB1 P19838 1/20 0.46
CYP2C19 P33261 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 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
SCHEMBL1900621 0.86 SCN1A (0.38) SCN1ASCN2ASCN3ATSHRMEN1
SCHEMBL9251505 0.81 CYP3A4 (0.44) SCN1ASCN2ASCN3ATSHRALDH1A1
SCHEMBL3372645 0.81 TSHR (0.53) SCN1ASCN2ASCN3ATSHRMEN1
SCHEMBL3260010 0.81 CYP3A4 (0.68) SCN1ASCN2ASCN3ATSHRMEN1
SCHEMBL11129391 0.81 TSHR (0.56) SCN1ASCN2ASCN3ATSHRMEN1
SCHEMBL6551352 0.80 CYP3A4 (0.47) TSHRMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL1930582 0.80 SCN1A (0.57) SCN1ASCN2ASCN3ATSHRMEN1
SCHEMBL29912725 0.79 CYP3A4 (0.46) TSHRKMT2AKDM4EMAPTALDH1A1
SCHEMBL1896570 0.79 ALDH1A1 (0.44) SCN1ASCN2ASCN3ATSHRKMT2A
SCHEMBL15175 0.78 CYP3A4 (0.55) TSHRNPC1KDM4EALDH1A1CYP3A4

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-20110101503-A1 HYPERBRANCHED POLYMER SYNTHESIZING METHOD, HYPERBRANCHED POLYMER, RESIST COMPOSITION, SEMICONDUCTOR INTEGRATED CIRCUIT, AND SEMICONDUCTOR INTEGRATED CIRCUIT FABRICATION METHOD LION CORPORATION (JP) 2011-05-05 US disclosed