SCHEMBL31379445

SCHEMBL31379445

O=C(O)C1C(=O)C=Cc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.44
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39
HTR2A P28223 1/20 0.38
EDNRA P25101 2/20 0.38
EDNRB P24530 1/20 0.38
ATM Q13315 1/20 0.36
BRD4 O60885 1/20 0.35
CCL2 P13500 1/20 0.35
P2RX4 Q99571 2/20 0.34
P2RX1 P51575 1/20 0.33
P2RX3 P56373 1/20 0.33
P2RX7 Q99572 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAPT P10636 3/20 0.32
ALOX15 P16050 2/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 2/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL129881 1.00 CYP2D6 (0.44) CYP2D6ALDH1A1KDM4EPOLBHTR2A
SCHEMBL8797292 0.88 HTR2A (0.43) CYP2D6ALDH1A1KDM4EPOLBHTR2A
SCHEMBL7905021 0.84 MAPT (0.49) CYP2D6ALDH1A1KDM4EPOLBHTR2A
SCHEMBL30148740 0.83 CYP2D6 (0.42) CYP2D6ALDH1A1KDM4EPOLBHTR2A
SCHEMBL22418385 0.83 ATM (0.46) CYP2D6ALDH1A1KDM4EPOLBHTR2A
SCHEMBL7918693 0.83 CYP2D6 (0.42) CYP2D6ALDH1A1KDM4EPOLBHTR2A
SCHEMBL9324773 0.81 CYP2D6 (0.41) CYP2D6ALDH1A1KDM4EPOLBHTR2A
SCHEMBL10649622 0.80 ALDH1A1 (0.40) CYP2D6ALDH1A1KDM4EPOLBATM
SCHEMBL6014069 0.79 KDM4E (0.38) CYP2D6ALDH1A1KDM4EPOLBHTR2A
SCHEMBL12476979 0.79 KDM4E (0.38) CYP2D6ALDH1A1KDM4EPOLBHTR2A

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
CN-119698673-A Particles 生命技术股份公司 2025-03-25 CN claimed
CN-120091780-A Heat-resistant container and cooking method 株式会社细川洋行 2025-06-03 CN disclosed