SCHEMBL29516513

SCHEMBL29516513

CC(Oc1ccccc1)C(=O)N1CCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.63
▸ HSD17B10 Q99714 2/20 0.63
▸ HPGD P15428 4/20 0.55
▸ CHRM1 P11229 1/20 0.52
▸ ALDH1A1 P00352 4/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ ALOX12 P18054 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ TTR P02766 1/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ CYP1A2 P05177 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47

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
SCHEMBL14653103 0.86 ALOX15 (0.84) ALOX15HSD17B10HPGDALDH1A1KMT2A
SCHEMBL16442332 0.86 ALOX15 (0.59) ALOX15HSD17B10HPGDCHRM1ALDH1A1
SCHEMBL13149425 0.82 CHRM1 (0.56) ALOX15HSD17B10HPGDCHRM1ALDH1A1
SCHEMBL8033304 0.81 ALDH1A1 (0.63) ALOX15HSD17B10ALDH1A1KMT2ASMN1; SMN2
SCHEMBL18135537 0.81 ALOX15 (0.54) ALOX15HSD17B10HPGDCHRM1ALDH1A1
SCHEMBL13359378 0.80 CHRM1 (0.60) ALOX15HSD17B10CHRM1KMT2AHTT
Hydrochloric Acid SCHEMBL8889528 0.80 KMT2A (0.63) ALOX15HSD17B10ALDH1A1KMT2ASMN1; SMN2
SCHEMBL13324881 0.80 CHRM1 (0.60) ALOX15HSD17B10CHRM1KMT2AHTT
SCHEMBL13149261 0.80 HSD17B10 (0.65) ALOX15HSD17B10HPGDALDH1A1KMT2A
SCHEMBL29516479 0.80 TSHR (0.65) HSD17B10CHRM1ALDH1A1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114835705-A Heterocyclic compound and application thereof in medicine 杭州安道药业有限公司 2022-08-02 — — CN disclosed
CN-109776523-B Heterocyclic compound and application thereof in medicine 杭州安道药业有限公司 2022-04-15 — — CN disclosed
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