SCHEMBL27468622

SCHEMBL27468622

CCC(=O)OCCc1c[nH]c2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.69
SMN1; SMN2 Q16637 3/20 0.69
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
MAPT P10636 3/20 0.69
LMNA P02545 2/20 0.69
CYP1A2 P05177 2/20 0.64
CYP2C19 P33261 2/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C9 P11712 1/20 0.64
PKM P14618 2/20 0.62
TSHR P16473 1/20 0.55
BLM P54132 1/20 0.55
KDM4E B2RXH2 1/20 0.54
HTR1A P08908 2/20 0.54
HTR2A P28223 2/20 0.54
HTR2C P28335 2/20 0.54
HTR2B P41595 2/20 0.54
ADRA2A P08913 1/20 0.53

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
SCHEMBL29782982 0.85 LMNA (0.64) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL6706832 0.85 LMNA (0.64) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL9293385 0.84 MEN1 (0.68) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL10676155 0.83 SMN1; SMN2 (0.68) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL22076498 0.83 MAPT (0.64) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL29782944 0.82 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL153798 0.82 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL22931832 0.82 SMN1; SMN2 (0.65) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL29879164 0.82 SMN1; SMN2 (0.65) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL28872567 0.82 NMBR (0.60) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT

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
CN-1138764-C Isoxazole derivatives ס����ҩ��ʽ���� 2004-02-18 CN disclosed
CN-1252794-A Isoxazole derivatives SUMITOMO PHARMA (JP) 2000-05-10 CN disclosed