SCHEMBL10651222

SCHEMBL10651222

CCC(=O)CCC(=O)CCC(=O)C(C)Oc1ccc2c(c1)OCO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 3/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 2/20 0.40
CYP3A4 P08684 2/20 0.40
FKBP1A P62942 1/20 0.40
HPGD P15428 1/20 0.40
GAA P10253 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 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
SCHEMBL1878847 0.81 TSHR (0.57) KMT2AMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL5204610 0.78 RAB9A (0.53) LMNAKMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL28960849 0.74 LMNA (0.61) LMNAKMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL13545151 0.73 TRPM8 (0.57) ALDH1A1SMN1; SMN2CYP3A4CYP1A2CYP2C19
SCHEMBL7345420 0.72 LMNA (0.50) LMNAKMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL6964456 0.72 LMNA (0.50) LMNAKMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL11796918 0.72 MAPT (0.51) LMNAKMT2AMAPTSMN1; SMN2NPC1
SCHEMBL12341996 0.71 LMNA (0.52) LMNAKMT2AALDH1A1NPC1RAB9A
SCHEMBL11713129 0.71 RAB9A (0.52) LMNAKMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL1744782 0.71 RAB9A (0.66) LMNAKMT2AMAPTALDH1A1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0118283-B1 PHENYL-CYCLOBUTANE CARBOXYLATES AS ARTHROPODICIDES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1988-11-02 EP claimed
US-4044118-A N-1-HALOMETHYL-1-S-DIALKYLPHOSPHOROTHIOATE METHINYL PHTHALIMIDE ON TEXACO INC. (US) 1977-08-23 US disclosed
US-3939272-A 5,6-DIHYDRO-2-METHYL-1,4-OXATHIIN-3-CARBOXYANILIDE-4,4-DIOXIDE, ALKYLATED PHENOL TEXACO INC. (US) 1976-02-17 US disclosed