SCHEMBL9616219

SCHEMBL9616219

COc1c2ccccc2cc2cc(Cl)ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP2A6 P11509 1/20 0.45
POLB P06746 1/20 0.44
ERN1 O75460 1/20 0.44
TUBB4A P04350 4/20 0.42
TUBB P07437 4/20 0.42
TUBA3C P0DPH7 4/20 0.42
TUBA1B P68363 4/20 0.42
TUBA4A P68366 4/20 0.42
TUBB4B P68371 4/20 0.42
TUBB3 Q13509 4/20 0.42
TUBB2A Q13885 4/20 0.42
TUBB8 Q3ZCM7 4/20 0.42
TUBA3E Q6PEY2 4/20 0.42
TUBA1A Q71U36 4/20 0.42
TUBA1C Q9BQE3 4/20 0.42
TUBB6 Q9BUF5 4/20 0.42

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
SCHEMBL23089904 0.89 ALDH1A1 (0.48) KDM4EALDH1A1MAPK1SMN1; SMN2CYP2A6
SCHEMBL30949367 0.84 ALDH1A1 (0.67) KDM4EALDH1A1MAPK1SMN1; SMN2CYP2A6
SCHEMBL599396 0.84 ALDH1A1 (0.67) KDM4EALDH1A1MAPK1SMN1; SMN2CYP2A6
SCHEMBL602977 0.81 KDM4E (0.62) KDM4EALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL30043104 0.81 KDM4E (0.62) KDM4EALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL29368971 0.81 KDM4E (0.62) KDM4EALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL29118946 0.81 ALDH1A1 (0.56) KDM4EALDH1A1MAPK1SMN1; SMN2CYP2A6
SCHEMBL29703007 0.80 CYP1A2 (0.59) KDM4EALDH1A1MAPK1SMN1; SMN2CYP2A6
SCHEMBL16920395 0.80 CYP1A2 (0.50) KDM4EALDH1A1MAPK1SMN1; SMN2CYP2A6
SCHEMBL29104917 0.80 CYP1A2 (0.59) KDM4EALDH1A1MAPK1SMN1; SMN2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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