SCHEMBL8749554

SCHEMBL8749554

COc1cccc2cc(Cl)ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.51
BCHE P06276 2/20 0.50
NQO1 P15559 1/20 0.48
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ELANE P08246 1/20 0.47
CYP2A6 P11509 1/20 0.43
NPC1 O15118 1/20 0.43
CRHR1 P34998 1/20 0.42
AMY1A P0DUB6 1/20 0.42
EGFR P00533 1/20 0.42
PDGFRB P09619 1/20 0.42
KDR P35968 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TUBB4A P04350 2/20 0.41
TUBB P07437 2/20 0.41
TUBA3C P0DPH7 2/20 0.41

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
SCHEMBL16632535 0.88 SLC6A2 (0.47) ACHEBCHENQO1ALDH1A1HPGD
SCHEMBL19460550 0.86 PPARG (0.46) ACHEBCHENQO1ALDH1A1KDM4E
SCHEMBL29919905 0.79 NQO1 (0.67) ACHEBCHENQO1ALDH1A1KDM4E
SCHEMBL8393507 0.79 NQO1 (0.67) ACHEBCHENQO1ALDH1A1KDM4E
SCHEMBL24773765 0.78 ACHE (0.53) ACHEBCHENQO1ALDH1A1KDM4E
SCHEMBL443271 0.78 CYP1A2 (0.57) ACHEBCHENQO1ALDH1A1KDM4E
SCHEMBL8157352 0.78 CYP1A2 (0.59) ACHEBCHENQO1ALDH1A1KDM4E
SCHEMBL1402278 0.78 NQO1 (0.50) ACHEBCHENQO1ALDH1A1KDM4E
SCHEMBL29869216 0.78 CYP1A2 (0.57) ACHEBCHENQO1ALDH1A1KDM4E
SCHEMBL17792040 0.78 ACHE (0.49) ACHEBCHENQO1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0416038-B1 NOVEL CHEMILUMINESCENT FUSED POLYCYCLIC RING-CONTAINING 1,2-DIOXETANES AND ASSAYS IN WHICH THEY ARE USED TROPIX INC (US) 1997-03-26 EP disclosed
EP-0416038-A4 NOVEL CHEMILUMINESCENT FUSED POLYCYCLIC RING-CONTAINING 1,2-DIOXETANES AND ASSAYS IN WHICH THEY ARE USED 1992-02-26 EP disclosed
EP-0416038-A1 NOVEL CHEMILUMINESCENT FUSED POLYCYCLIC RING-CONTAINING 1,2-DIOXETANES AND ASSAYS IN WHICH THEY ARE USED. TROPIX INC (US) 1991-03-13 EP disclosed
US-4952707-A DECOMPOSITION TO LIGHT EMITTING FLUOROPHORE; ANALYSIS TROPIX, INC. (US) 1990-08-28 US disclosed
WO-1990000164-A1 NOVEL CHEMILUMINESCENT FUSED POLYCYCLIC RING-CONTAINING 1,2-DIOXETANES AND ASSAYS IN WHICH THEY ARE USED TROPIX, INC. (US) 1990-01-11 WO disclosed