SCHEMBL25007825

SCHEMBL25007825

C=C(C)/C(CC)=C(/C)N(C)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.39
▸ PHGDH O43175 1/20 0.39
▸ MGLL Q99685 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ POLQ O75417 1/20 0.36
▸ TSHR P16473 2/20 0.35
▸ GLA P06280 1/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ HTT P42858 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ POLB P06746 1/20 0.34

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
SCHEMBL23438276 0.77 FAAH (0.44) FAAHPHGDHMGLLCA12CA1
SCHEMBL6909714 0.72 FAAH (0.47) FAAHPHGDHMGLLCA12CA1
SCHEMBL14217912 0.72 FAAH (0.50) FAAHPHGDHMGLLCA12CA1
SCHEMBL14608948 0.72 FAAH (0.50) FAAHPHGDHMGLLCA12CA1
SCHEMBL19959754 0.69 ESR1 (0.44) ALDH1A1
SCHEMBL194085 0.69 HTT (0.46) FAAHPHGDHMGLLCA12CA1
SCHEMBL28250176 0.69 ALDH1A1 (0.45) FAAHPHGDHMGLLCA12CA1
SCHEMBL21480196 0.69 LMNA (0.43) FAAHPHGDHMGLLCA12CA1
SCHEMBL9887 0.67 KMT2A (0.56) ALDH1A1NPC1RAB9ASMN1; SMN2POLQ
SCHEMBL13448239 0.67 HTT (0.44) FAAHPHGDHMGLLCA12CA1

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-4129402-A1 HYDROXYPYRROLIDINE DERIVATIVE AND MEDICINAL APPLICATION THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2023-02-08 — — EP disclosed
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