SCHEMBL10023872

SCHEMBL10023872

O=C(OCCCCCCOc1ccc(/N=N/c2ccccc2)cc1)C1CC2C=CC1C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
KMT2A Q03164 4/20 0.46
PPARA Q07869 7/20 0.45
RAB9A P51151 2/20 0.43
HPGD P15428 1/20 0.42
PPARG P37231 3/20 0.41
PPARD Q03181 2/20 0.41
MEN1 O00255 2/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
NFKB1 P19838 1/20 0.40
MAPK1 P28482 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ESR1 P03372 1/20 0.40
HSD17B10 Q99714 2/20 0.40
POLB P06746 2/20 0.40
APEX1 P27695 1/20 0.40

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
SCHEMBL10054313 0.90 ALDH1A1 (0.53) ALDH1A1KMT2APPARARAB9AHPGD
SCHEMBL10023859 0.90 ALDH1A1 (0.44) ALDH1A1KMT2APPARARAB9AHPGD
SCHEMBL10524520 0.85 ALDH1A1 (0.48) ALDH1A1KMT2APPARARAB9AHPGD
SCHEMBL19729141 0.84 HTT (0.52) ALDH1A1KMT2AHPGDMEN1ESR1
SCHEMBL14449133 0.82 ALDH1A1 (0.57) ALDH1A1KMT2ARAB9AHPGDMEN1
SCHEMBL4398753 0.82 ALDH1A1 (0.57) ALDH1A1KMT2ARAB9AHPGDMEN1
SCHEMBL4400473 0.79 LMNA (0.47) ALDH1A1KMT2ARAB9AHPGDMEN1
SCHEMBL3717301 0.79 LMNA (0.47) ALDH1A1KMT2ARAB9AHPGDMEN1
SCHEMBL14449126 0.79 LMNA (0.47) ALDH1A1KMT2ARAB9AHPGDMEN1
SCHEMBL31366090 0.79 LMNA (0.47) ALDH1A1KMT2ARAB9AHPGDMEN1

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-20120015116-A1 PHOTOREACTIVE POLYMER AND PREPARATION METHOD THEREOF LG CHEM, LTD. (KR) 2012-01-19 US disclosed
US-20120015116-A1 PHOTOREACTIVE POLYMER AND PREPARATION METHOD THEREOF LG CHEM, LTD. (KR) 2012-01-19 US disclosed