SCHEMBL6688057

SCHEMBL6688057

COc1ccc(-c2cc(=O)c3cc(C)ccc3[nH]2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 13/20 1.00
▸ ALDH1A1 P00352 12/20 1.00
▸ KDM4E B2RXH2 11/20 1.00
▸ SMN1; SMN2 Q16637 9/20 1.00
▸ RAB9A P51151 7/20 1.00
▸ NPC1 O15118 6/20 1.00
▸ LMNA P02545 6/20 0.84
▸ MEN1 O00255 5/20 0.78
▸ KMT2A Q03164 5/20 0.78
▸ MAPK1 P28482 2/20 0.78
▸ MAPT P10636 4/20 0.69
▸ TP53 P04637 1/20 0.69
▸ HSD17B10 Q99714 1/20 0.69
▸ CTSV O60911 1/20 0.58
▸ CTSL P07711 1/20 0.58

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
SCHEMBL2465149 0.90 ALDH1A1 (1.00) HPGDALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL6534639 0.82 HPGD (1.00) HPGDALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL29411859 0.82 HPGD (1.00) HPGDALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL2799908 0.82 HPGD (0.76) HPGDALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL2799465 0.82 HPGD (1.00) HPGDALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL25910937 0.81 ALDH1A1 (0.73) HPGDALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL15233668 0.81 ALDH1A1 (0.78) HPGDALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL6534282 0.81 HPGD (1.00) HPGDALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL31552893 0.81 ALDH1A1 (1.00) HPGDALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL22552071 0.79 TUBB4A (0.77) HPGDALDH1A1KDM4ESMN1; SMN2RAB9A

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-20040116497-A1 Chromane derivatives, process for their preparation and their use as antitumor agents PHARMACIA ITALIA SPA (IT) 2004-06-17 — — US disclosed
EP-1379524-A2 CHROMANE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2004-01-14 — — EP disclosed
WO-2002070515-A2 CHROMANE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2002-09-12 — — WO disclosed
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