SCHEMBL22280815

SCHEMBL22280815

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.40
▸ ITGB3 P05106 6/20 0.35
▸ ITGA2B P08514 6/20 0.35
▸ ITGAV P06756 1/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ S1PR3 Q99500 1/20 0.35
▸ GPR119 Q8TDV5 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ TSHR P16473 1/20 0.33

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
SCHEMBL22281046 0.93 RAB9A (0.40) RAB9AITGB3ITGA2BITGAVCHRM2
SCHEMBL22272435 0.91 RAB9A (0.35) RAB9AITGB3ITGA2BITGAVCHRM2
SCHEMBL22281058 0.91 RAB9A (0.43) RAB9AITGB3ITGA2BITGAVCHRM2
SCHEMBL19722549 0.91 RAB9A (0.43) RAB9AITGB3ITGA2BITGAVCHRM2
SCHEMBL19722045 0.88 RAB9A (0.41) RAB9AITGB3ITGA2BCYP2C9S1PR3
SCHEMBL19721996 0.88 RAB9A (0.46) RAB9AITGB3ITGA2BITGAVCHRM2
SCHEMBL19722609 0.88 RAB9A (0.46) RAB9AITGB3ITGA2BITGAVCHRM2
SCHEMBL19722154 0.87 RAB9A (0.45) RAB9AITGB3ITGA2BITGAVCHRM2
SCHEMBL22272432 0.86 RAB9A (0.35) RAB9AITGB3ITGA2BITGAVCHRM2
SCHEMBL22281045 0.86 RAB9A (0.40) RAB9AITGB3ITGA2BITGAVCHRM2

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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