SCHEMBL16285019

SCHEMBL16285019

CCC(C)C(=O)OCCCCCCCCN1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(C)C5=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.47
HIF1A Q16665 1/20 0.47
ALDH1A1 P00352 4/20 0.44
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
HTT P42858 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
RGS12 O14924 1/20 0.44
PABPC1 P11940 1/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
TERT O14746 6/20 0.43
HPGD P15428 2/20 0.43
MAPK1 P28482 2/20 0.43
HSD17B10 Q99714 1/20 0.43
PIN1 Q13526 1/20 0.40
PIN4 Q9Y237 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
SCHEMBL16284952 0.89 PIN1 (0.40) STAT3HIF1AALDH1A1LMNASMN1; SMN2
SCHEMBL16285016 0.82 STAT3 (0.47) STAT3HIF1AALDH1A1LMNASMN1; SMN2
SCHEMBL13028098 0.79 STAT3 (0.60) STAT3HIF1AALDH1A1LMNASMN1; SMN2
SCHEMBL22434039 0.79 STAT3 (0.60) STAT3HIF1AALDH1A1LMNASMN1; SMN2
SCHEMBL16285017 0.78 ALDH1A1 (0.73) STAT3HIF1AALDH1A1LMNASMN1; SMN2
SCHEMBL10065501 0.78 ALDH1A1 (0.40) ALDH1A1LMNASMN1; SMN2NPC1HTT
SCHEMBL14434661 0.77 HDAC1 (0.45) ALDH1A1LMNASMN1; SMN2NPC1HTT
SCHEMBL17718727 0.75 ALDH1A1 (0.48) STAT3HIF1AALDH1A1LMNASMN1; SMN2
SCHEMBL13751111 0.75 HDAC1 (0.47) ALDH1A1LMNAHTTMEN1RGS12
SCHEMBL18379213 0.75 STAT3 (0.47) STAT3HIF1AALDH1A1LMNASMN1; SMN2

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-9680103-B2 Organic photoelectric conversion element composition, thin film and photovoltaic cell each containing the same, organic semiconductor polymer and compound each for use in these, and method of producing the polymer FUJIFILM CORPORATION (JP) 2017-06-13 US disclosed
US-20140360585-A1 ORGANIC PHOTOELECTRIC CONVERSION ELEMENT COMPOSITION, THIN FILM AND PHOTOVOLTAIC CELL EACH CONTAINING THE SAME, ORGANIC SEMICONDUCTOR POLYMER AND COMPOUND EACH FOR USE IN THESE, AND METHOD OF PRODUCING THE POLYMER FUJIFILM CORPORATION (JP) 2014-12-11 US disclosed