SCHEMBL28805896

SCHEMBL28805896

COc1ccc(-c2cnc(N)nc2)c(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 3/20 0.57
▸ CYP1B1 Q16678 3/20 0.57
▸ CYP3A4 P08684 2/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ CYP2E1 P05181 1/20 0.57
▸ CYP2C8 P10632 1/20 0.57
▸ CYP2D6 P10635 1/20 0.57
▸ CYP2A6 P11509 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ CYP4B1 P13584 1/20 0.57
▸ CYP2B6 P20813 1/20 0.57
▸ CYP3A5 P20815 1/20 0.57
▸ CYP2A7 P20853 1/20 0.57
▸ CYP3A7 P24462 1/20 0.57
▸ CYP2F1 P24903 1/20 0.57
▸ CYP2C18 P33260 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ CYP2J2 P51589 1/20 0.57
▸ CYP4F2 P78329 1/20 0.57
▸ CYP4F8 P98187 1/20 0.57

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
SCHEMBL21670077 0.79 CYP2A6 (0.56) CYP1A1CYP1B1CYP3A4CYP1A2CYP2E1
SCHEMBL17144617 0.79 CYP1A1 (0.56) CYP1A1CYP1B1CYP3A4CYP1A2CYP2E1
SCHEMBL7708817 0.78 CYP1A1 (0.59) CYP1A1CYP1B1CYP3A4CYP1A2CYP2E1
SCHEMBL23246341 0.77 CYP1A1 (0.68) CYP1A1CYP1B1CYP3A4CYP1A2CYP2E1
SCHEMBL7143439 0.77 CYP3A4 (0.62) CYP1A1CYP1B1CYP3A4CYP1A2CYP2E1
SCHEMBL29696962 0.77 CYP1A1 (0.68) CYP1A1CYP1B1CYP3A4CYP1A2CYP2E1
SCHEMBL17599105 0.76 CYP1A1 (0.71) CYP1A1CYP1B1CYP3A4CYP1A2CYP2E1
SCHEMBL196689 0.75 CYP1A1 (0.69) CYP1A1CYP1B1CYP3A4CYP1A2CYP2E1
SCHEMBL29589241 0.75 CYP1A1 (0.69) CYP1A1CYP1B1CYP3A4CYP1A2CYP2E1
SCHEMBL10486300 0.75 NPC1 (0.71) CYP1A1CYP1B1CYP3A4CYP1A2CYP2E1

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
CN-103124760-B Process for production of poly(lactic acid)-type resin, and poly(lactic acid)-type prepolymer TORAY INDUSTRIES 2015-04-15 — — CN disclosed
CN-103124760-A Process for production of poly(lactic acid)-type resin, and poly(lactic acid)-type prepolymer TORAY INDUSTRIES 2013-05-29 — — CN disclosed
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