SCHEMBL28244237

SCHEMBL28244237

COc1ccc([C@H]2[CH]CC2(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.45
OPRL1 P41146 1/20 0.45
MAPT P10636 5/20 0.42
ALDH1A1 P00352 2/20 0.41
CA4 P22748 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPK1 P28482 1/20 0.40
LTA4H P09960 1/20 0.40
NPC1 O15118 2/20 0.40
ATM Q13315 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
GAA P10253 2/20 0.40
MAOA P21397 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
PTGS2 P35354 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL28578003 0.81 OPRM1 (0.35) OPRM1OPRL1MAPTALDH1A1MEN1
SCHEMBL28864262 0.81 OPRM1 (0.35) OPRM1OPRL1MAPTALDH1A1MEN1
SCHEMBL28578431 0.78 KDM1A (0.46) MAPTALDH1A1KDM4ENPSR1SMN1; SMN2
SCHEMBL6473377 0.77 OPRM1 (0.47) OPRM1OPRL1MAPTALDH1A1CA4
SCHEMBL14969281 0.73 MAOB (0.39) OPRM1OPRL1MEN1KMT2AKDM4E
SCHEMBL31132281 0.70 KDM1A (0.62) MAPTALDH1A1CA4MAPK1LTA4H
SCHEMBL28578218 0.68 HTR2C (0.37) OPRM1OPRL1ALDH1A1MAOAMAOB
SCHEMBL15778838 0.68 KDM1A (0.69) OPRM1OPRL1MAPTALDH1A1MEN1
SCHEMBL16142360 0.67 CA4 (0.59) MAPTALDH1A1CA4MAPK1LTA4H
SCHEMBL10847543 0.65 CA1 (0.50) MAPTALDH1A1KDM4EMAPK1NPC1

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-108623425-B Method for constructing four-membered ring by visible light catalysis [2+2] reaction 中国科学院理化技术研究所 2021-05-14 CN disclosed
CN-108623425-A Method for constructing four-membered ring by visible light catalysis [2+2] reaction 中国科学院理化技术研究所 2018-10-09 CN disclosed