SCHEMBL8999825

SCHEMBL8999825

O=COC1CCC(c2ccc(OC(=O)c3ccccc3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.46
KMT2A Q03164 12/20 0.45
MAPT P10636 6/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PKM P14618 1/20 0.43
PRMT5 O14744 1/20 0.43
EGFR P00533 1/20 0.43
MEN1 O00255 5/20 0.43
HPGD P15428 2/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ELANE P08246 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
SCHEMBL8999821 0.81 RAB9A (0.60) PARP10KMT2AMAPTRAB9AALDH1A1
SCHEMBL3737608 0.80 KMT2A (0.56) PARP10KMT2AMAPTRAB9AALDH1A1
SCHEMBL9810698 0.80 SLC18A3 (0.44) KMT2AMAPTRAB9AHPGDGAA
SCHEMBL23240984 0.77 MEN1 (0.56) KMT2AMAPTTDP1MEN1GAA
SCHEMBL11498063 0.77 PARP10 (0.43) PARP10KMT2AMAPTRAB9AALDH1A1
SCHEMBL14537753 0.75 CYP2C9 (0.58) PARP10KMT2AMAPTRAB9AALDH1A1
SCHEMBL10091191 0.75 GAA (0.49) PARP10KMT2AMAPTRAB9AALDH1A1
SCHEMBL10455210 0.75 NPC1 (0.52) PARP10KMT2AMAPTRAB9AALDH1A1
SCHEMBL13140473 0.75 PARP10 (0.43) PARP10KMT2AMAPTRAB9AALDH1A1
SCHEMBL3303020 0.75 JAK3 (0.54) KMT2AMAPTRAB9ACASP3SENP7

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
EP-0465048-B1 Carboxylic acid ester compound, liquid crystal compound, liquid crystal composition, liquid crystal element and light modulation method MITSUI PETROCHEMICAL IND (JP) 1996-09-11 EP disclosed
EP-0465048-A2 Carboxylic acid ester compound, liquid crystal compound, liquid crystal composition, liquid crystal element and light modulation method MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-01-08 EP disclosed