SCHEMBL11236737

SCHEMBL11236737

COC(OC)c1ccc(Cc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.55
CALM1 P0DP23 1/20 0.50
LMNA P02545 1/20 0.42
ACACB O00763 1/20 0.40
ACACA Q13085 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
IDH1 O75874 1/20 0.39
PPARG P37231 3/20 0.39
PPARA Q07869 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
PLA2G10 O15496 1/20 0.38
PLA2G2A P14555 1/20 0.38

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
SCHEMBL26689 0.79 KMT2A (0.44) LMNAL3MBTL1
SCHEMBL1428255 0.79 LMNA (0.44) LMNA
SCHEMBL8639154 0.77 LMNA (0.56) LMNAL3MBTL1CYP1A2CYP2C19
Iodide SCHEMBL27504755 0.77 KMT2A (0.43) L3MBTL1
Lithium SCHEMBL30301644 0.77 KMT2A (0.43) L3MBTL1
SCHEMBL9267735 0.77 LTA4H (0.57) LTA4HCALM1LMNAPPARGPPARA
SCHEMBL8955219 0.76 CA12 (0.35) L3MBTL1PPARGPPARACYP1A2CYP2D6
SCHEMBL3178755 0.76 SLC6A4 (0.53) LTA4HL3MBTL1PPARGPPARA
SCHEMBL9008790 0.76 TDP1 (0.50) LMNAL3MBTL1CYP1A2CYP2D6CYP2C19
SCHEMBL4841473 0.76 CALM1 (0.57) LTA4HCALM1LMNAL3MBTL1IDH1

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
US-4318783-A Process for the preparation of optionally substituted benzaldehyde dialkyl acetals BAYER AKTIENGESELLSCHAFT (DE) 1982-03-09 US disclosed
EP-0012240-B1 PROCESS FOR MANUFACTURING OF OPTIONALLY SUBSTITUTED BENZALDEHYD-DIALKYL ACETALS BAYER AG (DE) 1982-01-20 EP disclosed
EP-0012240-A2 Process for manufacturing of optionally substituted benzaldehyd-dialkyl acetals BAYER AG (DE) 1980-06-25 EP disclosed