SCHEMBL7769347

SCHEMBL7769347

C=CCC(CC=C)(C(=O)O)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 1.00
TSHR P16473 1/20 1.00
HTT P42858 1/20 0.73
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.39
MAPT P10636 2/20 0.39
HIF1A Q16665 2/20 0.38
CYP2C9 P11712 1/20 0.38
AKT1 P31749 1/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
KDM4E B2RXH2 2/20 0.35
KCNN4 O15554 1/20 0.34

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
SCHEMBL9748549 0.89 ALDH1A1 (0.80) ALDH1A1TSHRHTTKMT2ASMN1; SMN2
SCHEMBL5683703 0.88 ALDH1A1 (0.77) ALDH1A1TSHRHTTKMT2ASMN1; SMN2
SCHEMBL9577558 0.85 ALDH1A1 (0.73) ALDH1A1TSHRHTTKMT2ASMN1; SMN2
SCHEMBL17386414 0.83 ALDH1A1 (0.71) ALDH1A1TSHRHTTKMT2AMEN1
SCHEMBL6406725 0.82 ALDH1A1 (0.69) ALDH1A1TSHRHTTKMT2ASMN1; SMN2
SCHEMBL4797170 0.82 ALDH1A1 (0.69) ALDH1A1TSHRHTTKMT2ASMN1; SMN2
SCHEMBL9577396 0.80 ALDH1A1 (0.67) ALDH1A1TSHRHTTKMT2ASMN1; SMN2
SCHEMBL3999764 0.80 ALDH1A1 (0.67) ALDH1A1TSHRHTTKMT2ASMN1; SMN2
SCHEMBL7385780 0.80 ALDH1A1 (0.67) ALDH1A1TSHRHTTKMT2ASMN1; SMN2
SCHEMBL5325708 0.80 ALDH1A1 (0.67) ALDH1A1TSHRHTTKMT2ASMN1; 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-0765879-B1 13-Substituted milbemycin 5-oxime derivatives, their preparation and their use against insects and other pests SANKYO CO (JP) 2001-02-14 EP disclosed
US-5861429-A MITICIDES AND ANTHELMINTICS SANKYO COMPANY, LIMITED (JP) 1999-01-19 US disclosed
EP-0765879-A1 13-Substituted milbemycin 5-oxime derivatives, their preparation and their use against insects and other pests SANKYO COMPANY LIMITED (JP) 1997-04-02 EP disclosed