SCHEMBL9717423

SCHEMBL9717423

C=C(c1ccccc1OC)c1ccccc1C(C)C=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44
HPGD P15428 2/20 0.41
ALDH1A1 P00352 2/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
CTSD P07339 1/20 0.41
XBP1 P17861 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
STAT3 P40763 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 1/20 0.38
ACHE P22303 1/20 0.38
KCNA3 P22001 1/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL9717398 0.89 KMT2A (0.47) KCNK3KCNK9HPGDALDH1A1NPC1
SCHEMBL9717364 0.87 HCRTR1 (0.44) KCNK3KCNK9HPGDALDH1A1L3MBTL1
SCHEMBL6596150 0.82 CA1 (0.48) KCNK3KCNK9ALDH1A1L3MBTL1CA1
SCHEMBL9717360 0.81 GABRA1 (0.40) HPGDALDH1A1CA1CA2CA12
SCHEMBL9717379 0.81 KDM4E (0.45) HPGDALDH1A1CA1CA2CA9
SCHEMBL9717390 0.80 TSHR (0.33) ALDH1A1KMT2AHTTMEN1
SCHEMBL9717389 0.80 ALDH1A1 (0.44) HPGDALDH1A1XBP1CA1CA2
SCHEMBL9717366 0.80 LMNA (0.40) KCNK3KCNK9HPGDALDH1A1XBP1
SCHEMBL9715754 0.79 PTGS1 (0.52) KCNK3KCNK9HPGDALDH1A1ABCG2
SCHEMBL9717374 0.78 NFE2L2 (0.40) KCNK3KCNK9NPC1RAB9AKMT2A

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
EP-0311689-B1 PROCESS FOR SELECTIVELY MONOHYDROFORMYLATING DIOLEFIN NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1992-06-10 EP disclosed
US-4982007-A CARBONYLATION CATALYST NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1991-01-01 US disclosed