SCHEMBL30516657

SCHEMBL30516657

O=C(NC1C(C(=O)O)CC12CCC2)c1cccs1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ RAB9A P51151 7/20 0.51
▸ HPGD P15428 4/20 0.51
▸ NPC1 O15118 4/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ TAS1R3 Q7RTX0 1/20 0.47
▸ TAS1R1 Q7RTX1 1/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ ATM Q13315 1/20 0.45
▸ HDAC1 Q13547 1/20 0.44
▸ GAA P10253 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.39

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
SCHEMBL30516656 0.86 TSHR (0.49) TSHRHSD17B10RAB9AHPGDNPC1
SCHEMBL30516660 0.77 TSHR (0.60) TSHRHSD17B10RAB9AHPGDNPC1
SCHEMBL30516654 0.76 HDAC1 (0.43) RAB9AHPGDNPC1HDAC1KDM4E
SCHEMBL28747901 0.75 TSHR (0.80) TSHRHSD17B10RAB9AHPGDNPC1
SCHEMBL28747903 0.75 TSHR (0.80) TSHRHSD17B10RAB9AHPGDNPC1
SCHEMBL25439322 0.71 SLC6A12 (0.37) HPGDMEN1KMT2AALDH1A1CYP1A2
SCHEMBL12181432 0.69 RAB9A (0.90) TSHRHSD17B10RAB9AHPGDNPC1
SCHEMBL825926 0.69 RAB9A (0.84) TSHRHSD17B10RAB9AHPGDNPC1
SCHEMBL21496941 0.69 KEAP1 (0.47) RAB9AHPGDNPC1MEN1KMT2A
SCHEMBL31731392 0.69 KEAP1 (0.47) RAB9AHPGDNPC1MEN1KMT2A

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
CN-116529238-A Novel prostaglandin E 2 Compounds with receptor inhibiting activity and uses thereof 治纳辅医药科技有限公司 2023-08-01 — — CN disclosed
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