SCHEMBL26300425

SCHEMBL26300425

COc1ccc(-c2cc(C(=O)c3ccc(C(F)(F)F)cc3)n3ccc(C(F)(F)F)cc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 1/20 0.47
▸ PTPN11 Q06124 2/20 0.44
▸ MAOB P27338 3/20 0.43
▸ CYP1A1 P04798 2/20 0.43
▸ CYP1B1 Q16678 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ TUBB4A P04350 1/20 0.40
▸ TUBB P07437 1/20 0.40
▸ TUBA3C P0DPH7 1/20 0.40
▸ TUBA1B P68363 1/20 0.40
▸ TUBA4A P68366 1/20 0.40
▸ TUBB4B P68371 1/20 0.40
▸ TUBB3 Q13509 1/20 0.40
▸ TUBB2A Q13885 1/20 0.40
▸ TUBB8 Q3ZCM7 1/20 0.40
▸ TUBA3E Q6PEY2 1/20 0.40
▸ TUBA1A Q71U36 1/20 0.40
▸ TUBA1C Q9BQE3 1/20 0.40
▸ TUBB6 Q9BUF5 1/20 0.40

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
SCHEMBL26300627 1.00 PTGDR2 (0.47) PTGDR2PTPN11MAOBCYP1A1CYP1B1
SCHEMBL26300717 0.98 PTGDR2 (0.46) PTGDR2PTPN11MAOBCYP1A1CYP1B1
SCHEMBL26300657 0.94 PTGDR2 (0.43) PTGDR2PTPN11MAOBKDM4EMAPT
SCHEMBL26300580 0.92 PTGDR2 (0.46) PTGDR2PTPN11MAOBTUBB4ATUBB
SCHEMBL26300691 0.92 ALDH1A1 (0.46) PTGDR2PTPN11MAOBTUBB4ATUBB
SCHEMBL26300324 0.91 CYP2C8 (0.47) CYP2C8
SCHEMBL26300741 0.91 BAZ2B (0.44) PTGDR2PTPN11MAOBKDM4EMAPT
SCHEMBL26300929 0.90 PTPN11 (0.42) PTGDR2PTPN11MAOBCYP1A1CYP1B1
SCHEMBL26301092 0.90 PTPN11 (0.42) PTGDR2PTPN11MAOBCYP1A1CYP1B1
SCHEMBL26301335 0.89 BAZ2B (0.46) PTGDR2PTPN11MAOBCYP1A1CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4233864-A1 INTERFERON GENE STIMULATOR COMPOSITION COMPRISING INDOLIZINE DERIVATIVE AS ACTIVE INGREDIENT Ajou University Industry-Academic Cooperation Foundation (KR) 2023-08-30 — — EP disclosed
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