SCHEMBL10549321

SCHEMBL10549321

c1ccc(OCc2cncc3ccccc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
KCNA3 P22001 2/20 0.47
KCNH2 Q12809 1/20 0.46
CYSLTR2 Q9NS75 1/20 0.44
CYSLTR1 Q9Y271 1/20 0.44
FFAR1 O14842 1/20 0.43
AKR1B1 P15121 1/20 0.43
RAB9A P51151 8/20 0.43
NPC1 O15118 6/20 0.43
PARP10 Q53GL7 1/20 0.43
MMP1 P03956 2/20 0.42
MITF O75030 1/20 0.42
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MMP13 P45452 1/20 0.41
ADAM17 P78536 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RXFP1 Q9HBX9 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
SCHEMBL6846821 0.85 MAOB (0.53) CYP11B1CYP11B2KCNA3RAB9ANPC1
SCHEMBL6846744 0.82 NR4A2 (0.57) CYSLTR1RAB9ANPC1KMT2A
Hydrochloric Acid SCHEMBL6841319 0.81 NR4A2 (0.56) CYSLTR1RAB9ANPC1KMT2A
SCHEMBL3155138 0.79 CYP11B1 (0.44) CYP11B1CYP11B2RAB9ANPC1NPSR1
SCHEMBL5609808 0.78 NPC1 (0.64) KCNA3KCNH2FFAR1AKR1B1RAB9A
SCHEMBL6848196 0.77 CYSLTR1 (0.58) CYSLTR1RAB9ANPC1PARP10MEN1
SCHEMBL12853967 0.76 CYP11B1 (0.42) CYP11B1CYP11B2MMP1TDP1LMNA
SCHEMBL6841240 0.76 MEN1 (0.47) CYSLTR1RAB9ANPC1MEN1KMT2A
Anisole SCHEMBL27710875 0.76 CYP11B1 (0.51) CYP11B1CYP11B2KMT2ATDP1L3MBTL1
SCHEMBL2258454 0.74 CYP11B1 (0.49) CYP11B1CYP11B2KCNH2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4839369-A ANTIINFLAMMATORY AGENTS; ANTIALLERGENS RORER PHARMACEUTICAL CORPORATION (US) 1989-06-13 US disclosed
US-4728668-A Aryl and heteroaryl ethers as agents for the treatment of hypersensitive ailments USV PHARMACEUTICAL CORPORATION (US) 1988-03-01 US disclosed
US-4725619-A Aryl and heteroaryl ethers as agents for the treatment of hypersensitive ailments USV PHARMACEUTICAL CORPORATION (US) 1988-02-16 US disclosed
US-4631287-A Aryl and heteroaryl ethers as agents for the treatment of hypersensitive ailments USV PHARMACEUTICAL CORP. (US) 1986-12-23 US disclosed
EP-0200101-A2 Aryl and heteroaryl ethers as agents for the treatment of hypersensitive aliments USV PHARMACEUTICAL CORPORATION (US) 1986-11-05 EP disclosed