SCHEMBL30582770

SCHEMBL30582770

CC(C)(C)NCCCCCCNC(c1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 1/20 0.57
▸ RAB9A P51151 1/20 0.57
▸ GRM7 Q14831 1/20 0.57
▸ CYP3A4 P08684 1/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ ALDH1A1 P00352 3/20 0.51
▸ POLB P06746 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ LMNA P02545 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ DUT P33316 2/20 0.43
▸ ATM Q13315 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ GRIN1 Q05586 2/20 0.41
▸ GRIN2A Q12879 2/20 0.41
▸ TP53BP1 Q12888 1/20 0.40
▸ KDM1A O60341 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ CACNA1F O60840 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
SCHEMBL10411095 0.79 MTOR (0.81) MTORRAB9AGRM7CYP3A4ALOX15
Hydrochloric Acid SCHEMBL11130204 0.79 ALDH1A1 (0.68) MTORRAB9AGRM7CYP3A4ALOX15
Hydrochloric Acid SCHEMBL11128098 0.79 ALDH1A1 (0.68) MTORRAB9AGRM7CYP3A4ALOX15
Hydrochloric Acid SCHEMBL11129806 0.79 ALDH1A1 (0.68) MTORRAB9AGRM7CYP3A4ALOX15
Water SCHEMBL11425503 0.79 ALDH1A1 (0.68) MTORRAB9AGRM7CYP3A4ALOX15
Water SCHEMBL11427822 0.79 ALDH1A1 (0.68) MTORRAB9AGRM7CYP3A4ALOX15
Hydrochloric Acid SCHEMBL11126418 0.79 ALDH1A1 (0.68) MTORRAB9AGRM7CYP3A4ALOX15
Water SCHEMBL11427823 0.79 ALDH1A1 (0.68) MTORRAB9AGRM7CYP3A4ALOX15
Water SCHEMBL11427851 0.79 ALDH1A1 (0.68) MTORRAB9AGRM7CYP3A4ALOX15
Water SCHEMBL11439919 0.79 ALDH1A1 (0.68) MTORRAB9AGRM7CYP3A4ALOX15

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-109666160-B Dynamic polymer with hybrid cross-linked network 厦门天策材料科技有限公司 2023-07-14 — — CN disclosed
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