SCHEMBL22281058

SCHEMBL22281058

C=C(C)C(=O)OCCS(C)(CCCOc1ccc(C2CCC(C3CCC(CCCCC)CC3)CC2)cc1)CCOC(=O)C(=C)C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.43
▸ POLB P06746 1/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ ITGB3 P05106 5/20 0.36
▸ ITGA2B P08514 5/20 0.36
▸ ITGAV P06756 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ TSHR P16473 2/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ S1PR3 Q99500 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ GPR119 Q8TDV5 3/20 0.35
▸ NPC1 O15118 1/20 0.34

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
SCHEMBL22280815 0.91 RAB9A (0.40) RAB9AITGB3ITGA2BITGAVCHRM2
SCHEMBL22272395 0.91 RAB9A (0.38) RAB9APOLBAPEX1HTTTDP1
SCHEMBL9480987 0.88 POLB (0.51) RAB9APOLBAPEX1HTTTDP1
SCHEMBL9480980 0.88 POLB (0.51) RAB9APOLBAPEX1HTTTDP1
SCHEMBL13882618 0.86 POLB (0.53) RAB9APOLBAPEX1HTTTDP1
SCHEMBL19294804 0.86 POLB (0.53) RAB9APOLBAPEX1HTTTDP1
SCHEMBL22280589 0.85 TSHR (0.40) RAB9APOLBAPEX1HTTTDP1
SCHEMBL22272461 0.85 TSHR (0.40) RAB9APOLBAPEX1HTTTDP1
SCHEMBL22281055 0.85 RAB9A (0.42) RAB9APOLBAPEX1HTTTDP1
SCHEMBL22272462 0.84 TSHR (0.41) RAB9APOLBAPEX1HTTTDP1

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
US-20200239773-A1 ADDITIVE AND APPLICATION THEREOF DAXIN MATERIALS CORPORATION (TW) 2020-07-30 — — US disclosed
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