SCHEMBL30754665

SCHEMBL30754665

C#Cc1ccc2cc(OCCCO)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 2/20 0.42
▸ PDE3B Q13370 2/20 0.42
▸ PDE3A Q14432 2/20 0.42
▸ P2RY12 Q9H244 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ XDH P47989 1/20 0.39
▸ CA12 O43570 3/20 0.39
▸ CA9 Q16790 3/20 0.39
▸ CA1 P00915 1/20 0.39
▸ MAOA P21397 2/20 0.38
▸ MAOB P27338 2/20 0.38
▸ ABL1 P00519 1/20 0.37
▸ PDK2 Q15119 1/20 0.37
▸ APP P05067 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36

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
SCHEMBL24962608 1.00 PDE2A (0.42) PDE2APDE3BPDE3AP2RY12KDM4E
SCHEMBL30754666 0.94 PDE2A (0.42) PDE2APDE3BPDE3AP2RY12KDM4E
SCHEMBL30456834 0.94 PDE2A (0.42) PDE2APDE3BPDE3AP2RY12KDM4E
SCHEMBL30754664 0.94 PDE2A (0.42) PDE2APDE3BPDE3AP2RY12KDM4E
SCHEMBL24961877 0.94 PDE2A (0.42) PDE2APDE3BPDE3AP2RY12KDM4E
SCHEMBL24961870 0.94 PDE2A (0.42) PDE2APDE3BPDE3AP2RY12KDM4E
SCHEMBL24962708 0.94 PDE2A (0.42) PDE2APDE3BPDE3AP2RY12KDM4E
SCHEMBL25230809 0.86 ALDH1A1 (0.43) XDHAPPALDH1A1RECQL
SCHEMBL23865273 0.82 NR5A1 (0.49) KDM4ECA12CA9CA1ALDH1A1
SCHEMBL9710331 0.81 NR5A1 (0.51) KDM4EALDH1A1

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-119948131-A Liquid crystal compound 罗利克技术有限公司 2025-05-06 — — CN disclosed
CN-117500898-A Liquid crystal compound 罗利克技术有限公司 2024-02-02 — — CN disclosed
Send feedback