SCHEMBL29516479

SCHEMBL29516479

CCC(Oc1ccccc1)C(=O)N1CCC1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.65
▸ HSD17B10 Q99714 1/20 0.65
▸ MEN1 O00255 3/20 0.60
▸ KMT2A Q03164 3/20 0.60
▸ POLB P06746 1/20 0.52
▸ CHRM1 P11229 2/20 0.49
▸ DPP4 P27487 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL8029589 0.84 TSHR (0.61) TSHRHSD17B10MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL8887455 0.83 TSHR (0.60) TSHRHSD17B10MEN1KMT2AALDH1A1
SCHEMBL6032715 0.81 TSHR (0.55) TSHRHSD17B10MEN1KMT2APOLB
SCHEMBL29516513 0.80 ALOX15 (0.63) HSD17B10MEN1KMT2ACHRM1ALDH1A1
SCHEMBL6031094 0.78 TSHR (0.52) TSHRHSD17B10MEN1KMT2APOLB
SCHEMBL16825861 0.77 TSHR (0.54) TSHRHSD17B10MEN1KMT2ACHRM1
SCHEMBL8033255 0.77 SMN1; SMN2 (0.56) TSHRHSD17B10MEN1KMT2APOLB
SCHEMBL4651839 0.77 SMN1; SMN2 (0.64) TSHRALDH1A1SMN1; SMN2
SCHEMBL10361229 0.77 ALDH1A1 (0.59) TSHRHSD17B10MEN1KMT2APOLB
SCHEMBL295888 0.77 SMN1; SMN2 (0.64) TSHRALDH1A1SMN1; 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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