SCHEMBL30195756

SCHEMBL30195756

CC(c1ccccc1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.48
EPHX2 P34913 5/20 0.46
SLC22A2 O15244 1/20 0.43
SLC47A1 Q96FL8 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 1/20 0.42
EPHX1 P07099 1/20 0.41
P2RX7 Q99572 1/20 0.41

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
SCHEMBL28531066 0.78 SIGMAR1 (0.45) SIGMAR1EPHX2ALDH1A1SMN1; SMN2EPHX1
SCHEMBL6849516 0.76 EPHX1 (0.45) SIGMAR1EPHX2ALDH1A1SMN1; SMN2EPHX1
SCHEMBL11447336 0.76 EPHX1 (0.45) SIGMAR1EPHX2ALDH1A1SMN1; SMN2MAPT
SCHEMBL5610447 0.76 EPHX1 (0.45) SIGMAR1EPHX2ALDH1A1EPHX1P2RX7
SCHEMBL5610374 0.76 SIGMAR1 (0.44) SIGMAR1EPHX2ALDH1A1SMN1; SMN2EPHX1
SCHEMBL29244326 0.76 EPHX1 (0.45) SIGMAR1EPHX2SLC22A2SLC47A1MAPT
Rimantadine SCHEMBL5663543 0.73 SLC22A2 (0.67) SIGMAR1EPHX2SLC22A2SLC47A1ALDH1A1
SCHEMBL27854398 0.72 SIGMAR1 (0.39) SIGMAR1EPHX2SLC22A2SLC47A1ALDH1A1
SCHEMBL2012832 0.72 SIGMAR1 (0.42) SIGMAR1EPHX2SLC22A2SLC47A1ALDH1A1
SCHEMBL5136537 0.72 EPHX2 (0.61) EPHX2ALDH1A1SMN1; SMN2P2RX7

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-115710199-A Photo-oxidation-reduction catalysis method 深圳湾实验室坪山生物医药研发转化中心 2023-02-24 CN disclosed
CN-113387837-B Photo-oxidation-reduction catalysis method 深圳湾实验室坪山生物医药研发转化中心 2023-02-21 CN disclosed