SCHEMBL31074934

SCHEMBL31074934

COc1cc(OC(C)=O)ccc1C=CC=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 5/20 0.57
CYP1B1 Q16678 4/20 0.57
ALDH1A1 P00352 4/20 0.55
MAPT P10636 4/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
CYP1A2 P05177 4/20 0.53
TUBB4A P04350 2/20 0.50
TUBB P07437 2/20 0.50
TUBA3C P0DPH7 2/20 0.50
TUBA1B P68363 2/20 0.50
TUBA4A P68366 2/20 0.50
TUBB4B P68371 2/20 0.50
TUBB3 Q13509 2/20 0.50
TUBB2A Q13885 2/20 0.50
TUBB8 Q3ZCM7 2/20 0.50
TUBA3E Q6PEY2 2/20 0.50
TUBA1A Q71U36 2/20 0.50
TUBA1C Q9BQE3 2/20 0.50
TUBB6 Q9BUF5 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
SCHEMBL3292760 0.87 ALDH1A1 (0.71) CYP1A1CYP1B1ALDH1A1MAPTMEN1
SCHEMBL714242 0.84 CYP1A2 (0.75) CYP1A1CYP1B1ALDH1A1MAPTMEN1
SCHEMBL4624144 0.84 CYP1A2 (0.75) CYP1A1CYP1B1ALDH1A1MAPTMEN1
SCHEMBL29575647 0.84 CYP1A2 (0.75) CYP1A1CYP1B1ALDH1A1MAPTMEN1
SCHEMBL9469775 0.84 CYP1A1 (0.62) CYP1A1CYP1B1ALDH1A1MAPTMEN1
SCHEMBL9469778 0.84 CYP1A1 (0.62) CYP1A1CYP1B1ALDH1A1MAPTMEN1
SCHEMBL3437175 0.83 KDM4E (0.47) CYP1A1CYP1B1MAPTMEN1KMT2A
SCHEMBL3437174 0.83 KDM4E (0.47) CYP1A1CYP1B1MAPTMEN1KMT2A
SCHEMBL29136539 0.81 CYP1A1 (0.53) CYP1A1CYP1B1ALDH1A1MAPTMEN1
SCHEMBL24017227 0.80 CYP1A2 (0.58) CYP1A1CYP1B1ALDH1A1MAPTMEN1

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
EP-4665713-A1 NEMATICIDAL COMPOUNDS, THEIR COMPOSITION AND USE THEREOF Bhukhanwala, Komal (IN) 2025-12-24 EP disclosed
WO-2024171230-A1 NEMATICIDAL COMPOUNDS, THEIR COMPOSITION AND USE THEREOF BHUKHANWALA KOMAL (IN) 2024-08-22 WO disclosed