SCHEMBL28193901

SCHEMBL28193901

CC(C)c1c[nH]c2c(C(=O)O)cccc12.[LiH]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ PARP14 Q460N5 1/20 0.51
▸ KDM4E B2RXH2 4/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ KEAP1 Q14145 1/20 0.42
▸ PBRM1 Q86U86 1/20 0.41
▸ GFER P55789 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ PIM1 P11309 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CSNK2A2 P19784 1/20 0.40
▸ CSNK2B P67870 1/20 0.40
▸ CSNK2A1 P68400 1/20 0.40
▸ CLEC4M Q9H2X3 1/20 0.40

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
SCHEMBL24075950 0.82 KDM4E (0.55) HTTPARP14KDM4EALDH1A1HPGD
SCHEMBL31023147 0.81 HAT1 (0.49) HTTSMN1; SMN2PARP14KDM4EALDH1A1
SCHEMBL12748340 0.81 HAT1 (0.49) HTTSMN1; SMN2PARP14KDM4EALDH1A1
SCHEMBL2811213 0.79 HTT (0.59) HTTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL29415445 0.79 HTT (0.59) HTTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL19328315 0.77 AKR1C4 (0.38) HTTSMN1; SMN2PARP14KDM4EKMT2A
SCHEMBL18589536 0.76 KDM4E (0.62) HTTKDM4EALDH1A1HPGDPBRM1
SCHEMBL18999655 0.76 PARP14 (0.50) PARP14HPGDBRPF1
SCHEMBL23867569 0.76 AHR (0.42) HTTSMN1; SMN2PARP14KDM4EALDH1A1
SCHEMBL9288270 0.75 AKR1C3 (0.39) HTTSMN1; SMN2PARP14KDM4EKMT2A

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-107428733-A CD38 inhibitor and treatment method 葛兰素史克知识产权第二有限公司 2017-12-01 — — CN disclosed
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