SCHEMBL5799213

SCHEMBL5799213

COc1ccc(C=C(CCNCCO)C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.51
▸ THRB P10828 2/20 0.51
▸ GSK3B P49841 1/20 0.43
▸ LMNA P02545 2/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ ATM Q13315 2/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ AKR1C3 P42330 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ CYP2A6 P11509 1/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HPGD P15428 1/20 0.40

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
SCHEMBL600723 0.81 LMNA (0.52) MAPTTHRBGSK3BLMNAATM
SCHEMBL600722 0.81 LMNA (0.52) MAPTTHRBGSK3BLMNAATM
SCHEMBL8153624 0.80 NPC1 (0.59) MAPTTHRBGSK3BNPC1RAB9A
SCHEMBL8153618 0.80 NPC1 (0.59) MAPTTHRBGSK3BNPC1RAB9A
SCHEMBL489474 0.80 ALOX5 (0.48) MAPTTHRBGSK3BNPC1RAB9A
SCHEMBL8546509 0.79 TGM2 (0.47) MAPTTHRBGSK3BLMNARAB9A
SCHEMBL28509017 0.79 MAPT (0.46) MAPTTHRBGSK3BLMNAATM
SCHEMBL6654010 0.78 GSK3B (0.51) MAPTTHRBGSK3BLMNANPC1
SCHEMBL6654014 0.78 GSK3B (0.51) MAPTTHRBGSK3BLMNANPC1
SCHEMBL8550978 0.78 MAPT (0.46) MAPTTHRBGSK3BLMNAAKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006039515-A2 COMPOSITION OF SUNSCREEN AND COLOR-CHANGING MARKERS SCHAFFER ROBIN (US) 2006-04-13 — — WO disclosed
US-20060067896-A1 Composition of sunscreen and color-changing markers SCHAFFER ROBIN 2006-03-30 — — US disclosed
US-6146618-A Disappearing color sunscreen compositions IPA, LLC (US) 2000-11-14 — — US disclosed
US-6007797-A Disappearing color sunscreen compositions IPA, LLC (US) 1999-12-28 — — US disclosed
US-5208011-A Octyl methoxycinnamate, oxybenzone and/or octyl salicylate and polymers SUN PHARMACEUTICAL CORP. (US) 1993-05-04 — — US disclosed
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