SCHEMBL30278535

SCHEMBL30278535

CC1(C)CC=C(c2ccc3cc(Br)ccc3c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.41
▸ PTPN6 P29350 1/20 0.41
▸ CDC25A P30304 1/20 0.41
▸ TBK1 Q9UHD2 1/20 0.39
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ CYP2A6 P11509 1/20 0.35
▸ CYP2C8 P10632 1/20 0.34
▸ MOGAT2 Q3SYC2 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PSMB5 P28074 1/20 0.33
▸ HTR2C P28335 2/20 0.33
▸ ABCB1 P08183 1/20 0.31
▸ TEK Q02763 1/20 0.30
▸ KDM5B Q9UGL1 1/20 0.30

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
SCHEMBL25072917 1.00 PTPN1 (0.41) PTPN1PTPN6CDC25ATBK1CYP11B1
SCHEMBL30278463 0.74 SLC6A4 (0.38) TBK1CYP2A6CYP2C8MOGAT2KDM5B
SCHEMBL19264733 0.74 MALT1 (0.36) CYP2C8MOGAT2PSMB5
SCHEMBL3078815 0.74 IDO1 (0.39) TBK1CYP2C8MOGAT2KDM4EMEN1
SCHEMBL31263364 0.74 IDO1 (0.39) TBK1CYP2C8MOGAT2KDM4EMEN1
SCHEMBL5210190 0.72 CA12 (0.39) TBK1CYP2C8MOGAT2KDM4EMEN1
SCHEMBL16152677 0.72 CYP2C8 (0.36) TBK1CYP2C8MOGAT2KDM5B
SCHEMBL1567626 0.72 SIGMAR1 (0.43) TBK1CYP2C8MOGAT2HTR2CKDM5B
SCHEMBL10707696 0.72 CYP2C8 (0.36) TBK1CYP2C8MOGAT2KDM5B
SCHEMBL28081373 0.72 QDPR (0.44) TBK1CYP2C8MOGAT2

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-4387603-A1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF Enanta Pharmaceuticals, Inc. (US) 2024-06-26 — — EP disclosed
CN-118103038-A 17 Beta-hydroxysteroid dehydrogenase 13 inhibitors and methods of use thereof 英安塔制药有限公司 2024-05-28 — — CN disclosed
WO-2023023310-A1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2023-02-23 — — WO disclosed
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