SCHEMBL9404001

SCHEMBL9404001

O=C(CCc1cccc2ccccc12)CC(=O)CCc1cccc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.58
TDP1 Q9NUW8 1/20 0.55
GPR84 Q9NQS5 1/20 0.51
P2RX7 Q99572 1/20 0.51
NQO2 P16083 1/20 0.50
CDYL Q9Y232 1/20 0.50
ACP3 P15309 1/20 0.49
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP1A2 P05177 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MCL1 Q07820 2/20 0.47
ATM Q13315 1/20 0.46

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
SCHEMBL7340131 0.92 TDP1 (0.58) MTNR1ATDP1GPR84P2RX7NQO2
SCHEMBL8400463 0.86 IAPP (0.58) MTNR1ATDP1GPR84P2RX7NQO2
SCHEMBL6708222 0.84 MTNR1A (0.50) MTNR1ATDP1GPR84P2RX7NQO2
SCHEMBL1218835 0.83 TDP1 (0.67) MTNR1ATDP1GPR84CDYLMEN1
SCHEMBL1566760 0.83 TDP1 (0.56) MTNR1ATDP1GPR84P2RX7NQO2
SCHEMBL30307853 0.83 TDP1 (0.67) MTNR1ATDP1GPR84CDYLMEN1
SCHEMBL6282199 0.83 MTNR1A (0.50) MTNR1ATDP1GPR84P2RX7NQO2
SCHEMBL14608998 0.82 MTNR1A (0.49) MTNR1ATDP1GPR84P2RX7NQO2
Hydrochloric Acid SCHEMBL11319694 0.81 TDP1 (0.65) MTNR1ATDP1GPR84CDYLMEN1
SCHEMBL2300013 0.81 TDP1 (0.55) MTNR1ATDP1GPR84P2RX7NQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0323050-B1 Photosensitive compound WAKO PURE CHEM IND LTD (JP) 1994-11-02 EP disclosed
US-5250669-A Thermostability, photoresists WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1993-10-05 US disclosed
EP-0323050-A2 Photosensitive compound WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1989-07-05 EP disclosed