SCHEMBL22745906

SCHEMBL22745906

Cc1ccc(C(=O)NCc2cccc(Cc3ccc(N(C)C(=O)c4ccc(C)c(C)c4)cc3)c2)cc1C

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.53
NPC1 O15118 1/20 0.49
ROCK2 O75116 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 3/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 2/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 1/20 0.43
KLKB1 P03952 2/20 0.42
POLB P06746 1/20 0.41
MMP13 P45452 1/20 0.41

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
SCHEMBL23095209 0.89 NR1H4 (0.67) NR1H4NPC1RAB9AALDH1A1HPGD
SCHEMBL20674818 0.88 NR1H4 (0.55) NR1H4NPC1ROCK2CYP3A4CYP2C19
SCHEMBL22580579 0.86 NR1H4 (0.65) NR1H4NPC1ROCK2RAB9AALDH1A1
SCHEMBL19490332 0.82 NR1H4 (0.70) NR1H4NPC1ROCK2RAB9AALDH1A1
SCHEMBL13947259 0.74 NR1H4 (0.80) NR1H4NPC1RAB9AALDH1A1HPGD
SCHEMBL4655697 0.72 HDAC6 (0.51) NPC1RAB9AALDH1A1KMT2AHDAC1
SCHEMBL22580589 0.72 NR1H4 (0.59) NR1H4NPC1CYP3A4CYP2C19RAB9A
SCHEMBL19286335 0.71 NR1H4 (0.80) NR1H4NPC1RAB9AALDH1A1HPGD
SCHEMBL2130014 0.71 ALDH1A1 (0.49) NR1H4NPC1CYP2C19RAB9AALDH1A1
SCHEMBL22580583 0.71 NR1H4 (0.49) NR1H4NPC1ROCK2CYP3A4CYP2C19

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-11676814-B2 Material for forming organic film, substrate for manufacturing semiconductor apparatus, method for forming organic film, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-06-13 US disclosed
US-20200381247-A1 MATERIAL FOR FORMING ORGANIC FILM, SUBSTRATE FOR MANUFACTURING SEMICONDUCTOR APPARATUS, METHOD FOR FORMING ORGANIC FILM, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-12-03 US disclosed