SCHEMBL13674374

SCHEMBL13674374

C=Cc1ccc(C(=O)c2ccc(Sc3ccccc3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.53
▸ HPGD P15428 4/20 0.53
▸ TSHR P16473 1/20 0.43
▸ SRD5A2 P31213 3/20 0.42
▸ LMNA P02545 3/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ ATM Q13315 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MAPK13 O15264 1/20 0.38
▸ MAPK12 P53778 1/20 0.38
▸ MAPK11 Q15759 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ AKR1C3 P42330 1/20 0.37
▸ AKR1C2 P52895 1/20 0.37
▸ AKR1C1 Q04828 1/20 0.37
▸ AKT1 P31749 1/20 0.37

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
SCHEMBL39787 0.85 ALDH1A1 (0.61) ALDH1A1HPGDTSHRSRD5A2LMNA
SCHEMBL942072 0.85 ALDH1A1 (0.59) ALDH1A1HPGDTSHRTDP1MAPT
SCHEMBL16709768 0.85 ALDH1A1 (0.59) ALDH1A1HPGDTSHRTDP1MAPT
SCHEMBL3282737 0.85 HPGD (0.69) ALDH1A1HPGDSRD5A2LMNAL3MBTL1
SCHEMBL385623 0.83 ALDH1A1 (0.67) ALDH1A1HPGDSRD5A2LMNAL3MBTL1
SCHEMBL21506865 0.83 ALDH1A1 (0.67) ALDH1A1HPGDSRD5A2LMNAL3MBTL1
SCHEMBL17828242 0.81 ALDH1A1 (0.67) ALDH1A1HPGDTSHRSRD5A2LMNA
SCHEMBL6787662 0.81 ALDH1A1 (0.67) ALDH1A1HPGDTSHRSRD5A2LMNA
SCHEMBL17828245 0.81 ALDH1A1 (0.67) ALDH1A1HPGDTSHRSRD5A2LMNA
SCHEMBL38133 0.81 ALDH1A1 (0.58) ALDH1A1HPGDTSHRSRD5A2LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1395615-B1 OXIME ESTER PHOTOINITIATORS HAVING A COMBINED STRUCTURE BASF SE (DE) 2009-10-21 — — EP disclosed
Send feedback