SCHEMBL30839799

SCHEMBL30839799

COc1cc(N)cc(-c2cc(N)cc(OC)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
CYP3A4 P08684 4/20 0.50
CYP1A1 P04798 4/20 0.50
CYP1B1 Q16678 4/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2E1 P05181 2/20 0.50
CYP2C8 P10632 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2A6 P11509 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP4B1 P13584 2/20 0.50
CYP2B6 P20813 2/20 0.50
CYP3A5 P20815 2/20 0.50
CYP2A7 P20853 2/20 0.50
CYP3A7 P24462 2/20 0.50
CYP2F1 P24903 2/20 0.50
CYP2C18 P33260 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP2J2 P51589 2/20 0.50
CYP4F2 P78329 2/20 0.50

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
SCHEMBL27185954 1.00 ALDH1A1 (0.50) ALDH1A1CYP3A4CYP1A1CYP1B1CYP1A2
SCHEMBL3786514 0.89 TDP1 (0.54) ALDH1A1CYP3A4CYP1A1CYP1B1CYP1A2
SCHEMBL3053111 0.87 CYP3A4 (0.55) ALDH1A1CYP3A4CYP1A1CYP1B1CYP1A2
SCHEMBL5800828 0.86 ALDH1A1 (0.59) ALDH1A1CYP3A4CYP1A1CYP1B1HPGD
SCHEMBL116606 0.86 ALDH1A1 (0.69) ALDH1A1CYP3A4CYP1A1CYP1B1CYP1A2
SCHEMBL3788740 0.85 CYP3A4 (0.64) ALDH1A1CYP3A4CYP1A1CYP1B1CYP1A2
Ammonia Solution, Strong SCHEMBL10988442 0.83 ALDH1A1 (0.65) ALDH1A1CYP3A4CYP1A1CYP1B1CYP1A2
SCHEMBL30365875 0.83 ALDH1A1 (0.65) ALDH1A1CYP3A4CYP1A1CYP1B1CYP1A2
SCHEMBL21611343 0.83 ALDH1A1 (0.65) ALDH1A1CYP3A4CYP1A1CYP1B1CYP1A2
Hydrochloric Acid SCHEMBL3275940 0.83 ALDH1A1 (0.65) ALDH1A1CYP3A4CYP1A1CYP1B1CYP1A2

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
WO-2025149744-A1 POLYCAPROLACTONE POLYOLS, POLYURETHANE DISPERSIONS, AND METHODS OF MAKING AND USING THE SAME INGEVITY UK LTD (GB) 2025-07-17 WO claimed
EP-4594381-A1 NOVEL POLYURETHANE OR POLYURETHANE-UREA COMPOSITION WITH ENHANCED LOW TEMPERATURE PERFORMANCE Ingevity UK Ltd (GB) 2025-08-06 EP disclosed
WO-2025149744-A1 POLYCAPROLACTONE POLYOLS, POLYURETHANE DISPERSIONS, AND METHODS OF MAKING AND USING THE SAME INGEVITY UK LTD (GB) 2025-07-17 WO disclosed
CN-120092033-A Novel polyurethane or polyurethane-urea compositions with enhanced low temperature properties 英格维蒂英国有限公司 2025-06-03 CN disclosed
WO-2024068129-A1 NOVEL POLYURETHANE OR POLYURETHANE-UREA COMPOSITION WITH ENHANCED LOW TEMPERATURE PERFORMANCE INGEVITY UK LTD. (GB) 2024-04-04 WO disclosed