SCHEMBL11353393

SCHEMBL11353393

CCc1cc(C(CI)c2cc(CC)c(O)cc2CC)c(CC)cc1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 3/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ KDM4E B2RXH2 4/20 0.35
▸ MAPT P10636 4/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ POLB P06746 3/20 0.35
▸ THRB P10828 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ TDP1 Q9NUW8 3/20 0.35
▸ L3MBTL1 Q9Y468 3/20 0.35
▸ APEX1 P27695 2/20 0.35
▸ RECQL P46063 2/20 0.35
▸ MCL1 Q07820 2/20 0.35
▸ HKDC1 Q2TB90 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ CACNA1B Q00975 1/20 0.35
▸ APBA1 Q02410 1/20 0.35
▸ ESR1 P03372 3/20 0.35

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
SCHEMBL11357222 0.81 ALOX15 (0.41) ALOX15ALOX12KDM4EMAPTMEN1
SCHEMBL11349037 0.81 ALOX15 (0.41) ALOX15ALOX12KDM4EMAPTMEN1
SCHEMBL10636557 0.77 ALOX15 (0.42) ALOX15ALOX12KDM4EMAPTMEN1
SCHEMBL1760478 0.76 ALOX15 (0.54) ALOX15ALOX12KDM4EMAPTMEN1
SCHEMBL11365947 0.74 L3MBTL1 (0.36) KDM4EMAPTMEN1ALDH1A1POLB
SCHEMBL11354429 0.74 TAAR1 (0.50) LMNACYP3A4NFKB1PMP22
SCHEMBL11350488 0.74 GABRA1 (0.32) ALOX15ALOX12KDM4EALDH1A1HSD17B10
SCHEMBL6040093 0.71 ALOX15 (0.56) ALOX15ALOX12KDM4EMAPTMEN1
SCHEMBL9318708 0.71 ALOX15 (0.56) ALOX15ALOX12KDM4EMAPTMEN1
SCHEMBL31545806 0.69 ALOX15 (0.45) ALOX15ALOX12KDM4EMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0001910-B1 PREPARATION OF 4,4'-DIHYDROXY STILBENES OR DERIVATIVES THEREOF MONSANTO COMPANY (US) 1981-09-02 — — EP disclosed
EP-0001909-B1 PREPARATION OF 1,2-BIS(4-HYDROXYARYL)ETHANES BY ONE-STEP DEHYDROHALOGENATION-REARRANGEMENT-HYDROGENATION OF 1,1-BIS(4-HYDROXYARYL)-2-HALOETHANES, WHICH MAY BE FOLLOWED BY ACYLATION MONSANTO COMPANY (US) 1981-08-12 — — EP disclosed
US-4189610-A Preparation of 4,4-dioxy-substituted stilbenes MONSANTO COMPANY (US) 1980-02-19 — — US disclosed
US-4156787-A HYDROGENATION CATALYST MONSANTO COMPANY (US) 1979-05-29 — — US disclosed
EP-0001910-A1 Preparation of 4,4'-dihydroxy stilbenes or derivatives thereof MONSANTO COMPANY (US) 1979-05-16 — — EP disclosed
EP-0001909-A1 Preparation of 1,2-bis(4-hydroxyaryl)ethanes by one-step dehydrohalogenation-rearrangement-hydrogenation of 1,1-bis(4-hydroxyaryl)-2-haloethanes, which may be followed by acylation MONSANTO COMPANY (US) 1979-05-16 — — EP disclosed
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