SCHEMBL11495602

SCHEMBL11495602

COc1ccc(OC)c(/C=C(\C)CCc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ ALDH1A1 P00352 4/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ GAA P10253 2/20 0.49
▸ POLB P06746 1/20 0.48
▸ RAB9A P51151 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ ALOX5 P09917 2/20 0.46
▸ PTGES O14684 1/20 0.46
▸ PPARG P37231 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ HPGD P15428 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ JUN P05412 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ CYP1A1 P04798 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43

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
SCHEMBL11495603 1.00 KMT2A (0.51) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL25254429 0.83 PPARG (0.60) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL25254297 0.79 ALOX5 (0.64) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL11180363 0.77 GAA (0.49) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL11180360 0.77 GAA (0.49) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL14198023 0.74 CYP1A1 (0.58) ALDH1A1KDM4EPOLBLMNASMN1; SMN2
SCHEMBL29105902 0.71 NPC1 (0.55) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL20914971 0.71 AKR1B10 (0.68) ALDH1A1KDM4EGAAALOX5HPGD
SCHEMBL30610033 0.71 AKR1B10 (0.68) ALDH1A1KDM4EGAAALOX5HPGD
SCHEMBL7138832 0.71 JUN (0.58) KMT2AMEN1ALDH1A1KDM4ELMNA

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
US-4206225-A ANALGESICS PFIZER INC. (US) 1980-06-03 — — US disclosed
EP-0009386-A1 2,10-Disubstituted dibenzo(b,d)pyrans and benzo(c)quinolines and pharmaceutical compositions thereof PFIZER INC. (US) 1980-04-02 — — EP disclosed
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