SCHEMBL20408463

SCHEMBL20408463

CCC(C)(C)C(=O)Oc1ccc2cc3c(cc2c1)OCO3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ ALOX15 P16050 3/20 0.40
▸ GAPDH P04406 1/20 0.40
▸ LMNA P02545 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ TSHR P16473 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ ELANE P08246 1/20 0.40
▸ GAA P10253 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ POLB P06746 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ TAS1R3 Q7RTX0 1/20 0.37
▸ TAS1R1 Q7RTX1 1/20 0.37

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
SCHEMBL20408465 0.99 GAPDH (0.40) KMT2ASMN1; SMN2ALOX15GAPDHLMNA
SCHEMBL10064132 0.89 KMT2A (0.51) KMT2ASMN1; SMN2ALOX15LMNAALDH1A1
SCHEMBL15447051 0.85 ELANE (0.50) KMT2ALMNAELANEMAPTMEN1
SCHEMBL20408462 0.83 ELANE (0.49) KMT2ASMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL20408439 0.82 ELANE (0.42) KMT2ALMNAALDH1A1ELANEKDM4E
SCHEMBL12419173 0.81 KMT2A (0.45) KMT2AALDH1A1ELANEMAPTKDM4E
SCHEMBL20100782 0.81 ELANE (0.44) KMT2ALMNAELANEMAPTNPC1
SCHEMBL20408450 0.81 ELANE (0.41) KMT2ALMNAALDH1A1ELANEKDM4E
SCHEMBL20408464 0.80 MEN1 (0.46) KMT2ASMN1; SMN2LMNAALDH1A1TSHR
SCHEMBL20408456 0.80 ELANE (0.43) KMT2ALMNAELANEMAPTNPC1

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-20180210338-A1 RESIST COMPOSITION AND METHOD OF FORMING RESIST PATTERN TOKYO OHKA KOGYO CO., LTD. (JP) 2018-07-26 — — US disclosed
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