SCHEMBL24445662

SCHEMBL24445662

C[C@H](Oc1cc(C(=O)O)cc2c1CC2)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.40
▸ PTGDR2 Q9Y5Y4 2/20 0.38
▸ PTGDR Q13258 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SRD5A1 P18405 1/20 0.36
▸ LMNA P02545 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ SCN1A P35498 1/20 0.34
▸ SCN2A Q99250 1/20 0.34
▸ SCN3A Q9NY46 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33

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
SCHEMBL19579749 0.79 RXRA (0.40) HPGDKMT2ALMNATSHRCA12
SCHEMBL507936 0.70 KMT2A (0.64) SRD5A2SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL11733309 0.68 CA12 (0.53) SMN1; SMN2HPGDNPSR1KMT2ALMNA
SCHEMBL14677744 0.67 LMNA (0.52) SRD5A2SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL8884700 0.64 KDM4E (0.50) SMN1; SMN2NPC1RAB9AHPGDNPSR1
SCHEMBL9005582 0.64 PDE4A (0.59) SMN1; SMN2NPC1RAB9AHPGDKMT2A
SCHEMBL6920980 0.62 LMNA (0.54) SMN1; SMN2NPC1RAB9AHPGDNPSR1
SCHEMBL28803763 0.62 LMNA (0.65) SMN1; SMN2NPC1RAB9ANPSR1KMT2A
SCHEMBL26685419 0.62 KMT2A (0.55) PTGDR2KMT2ALMNACA12CA1
SCHEMBL1458531 0.62 KMT2A (0.50) RAB9AKMT2ATSHRCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4000610-A1 PHARMACOLOGY OF VISUAL CYCLE MODULATORS Acucela Inc. (US) 2022-05-25 — — EP disclosed
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