SCHEMBL9756671

SCHEMBL9756671

C=CCS[C](C=C)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
LMNA P02545 1/20 0.35
HRH1 P35367 1/20 0.33
IDO1 P14902 1/20 0.33
GAA P10253 1/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
APP P05067 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL16020996 0.78 IDO1 (0.47) AKT1L3MBTL1LMNAIDO1GAA
SCHEMBL10911565 0.78 POLB (0.40) AKT1L3MBTL1ALDH1A1HPGDLMNA
SCHEMBL8423601 0.76 AKT1 (0.47) AKT1ALDH1A1HPGDLMNAHRH1
SCHEMBL5242614 0.76 AKT1 (0.38) AKT1L3MBTL1ALDH1A1HPGDLMNA
SCHEMBL7591360 0.65 ALDH1A1 (0.61) AKT1L3MBTL1ALDH1A1HPGDLMNA
SCHEMBL5321140 0.65 PAM (0.59) L3MBTL1ALDH1A1HPGDGAA
SCHEMBL2185852 0.65 AKT1 (0.59) AKT1L3MBTL1ALDH1A1HPGDLMNA
SCHEMBL11065379 0.64 NOS1 (0.61) KDM4EMAPTRAB9ANPSR1CYP2C19
SCHEMBL11062075 0.64 CYP1A2 (0.44) L3MBTL1ALDH1A1HPGDLMNAGAA
SCHEMBL9740682 0.64 LMNA (0.45) AKT1L3MBTL1ALDH1A1HPGDLMNA

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
JP-3007772-A None JP disclosed
JP-H037772-A ACTIVE ENERGY RAY-CURABLE COATING COMPOSITION TOYO INK MFG CO LTD 1991-01-14 JP disclosed