SCHEMBL29953151

SCHEMBL29953151

CCc1cc(C=O)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 1/20 0.45
PTGER4 P35408 2/20 0.42
ALDH1A3 P47895 4/20 0.41
ALDH3A1 P30838 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PTGS2 P35354 1/20 0.39
RAB9A P51151 1/20 0.39
CYP1A2 P05177 1/20 0.39
HSD17B10 Q99714 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP2A6 P11509 1/20 0.38
FDPS P14324 1/20 0.38

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
SCHEMBL3035961 1.00 ALDH1A1 (0.45) ALDH1A1MEN1POLBHPGDKMT2A
SCHEMBL5685388 0.83 ALDH1A1 (0.44) ALDH1A1MEN1POLBHPGDKMT2A
SCHEMBL27688344 0.83 ALDH1A1 (0.42) ALDH1A1MEN1POLBHPGDKMT2A
SCHEMBL4339392 0.82 ALDH1A1 (0.44) ALDH1A1MEN1POLBHPGDKMT2A
SCHEMBL16957455 0.82 TRPA1 (0.36) ALDH1A1MEN1POLBHPGDKMT2A
SCHEMBL25673398 0.82 ALDH1A1 (0.39) ALDH1A1MEN1POLBHPGDKMT2A
SCHEMBL2679167 0.82 ALDH1A1 (0.42) ALDH1A1MEN1POLBHPGDKMT2A
SCHEMBL12484917 0.82 ALDH1A1 (0.41) ALDH1A1MEN1POLBHPGDKMT2A
SCHEMBL606640 0.80 ALDH1A1 (0.45) ALDH1A1HPGDPTGER4ALDH1A3ALDH3A1
SCHEMBL27830205 0.79 KDM4E (0.39) ALDH1A1MEN1POLBHPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4384165-A1 MONOACYLGLYCEROL LIPASE MODULATORS FOR USE IN AUTISM SPECTRUM DISORDERS Janssen Pharmaceutica NV (BE) 2024-06-19 EP disclosed
WO-2023019094-A1 MONOACYLGLYCEROL LIPASE MODULATORS FOR USE IN AUTISM SPECTRUM DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2023-02-16 WO disclosed
EP-4103557-A1 MONOACYLGLYCEROL LIPASE MODULATORS Janssen Pharmaceutica NV (BE) 2022-12-21 EP disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed