SCHEMBL12545668

SCHEMBL12545668

C=C(C)C(=O)OCc1ccc(-c2nc3ccccc3s2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 9/20 0.59
▸ KDM4E B2RXH2 6/20 0.59
▸ MAPT P10636 5/20 0.59
▸ NPC1 O15118 4/20 0.59
▸ SMN1; SMN2 Q16637 4/20 0.59
▸ GAA P10253 3/20 0.55
▸ LMNA P02545 3/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ GLA P06280 2/20 0.55
▸ PKM P14618 1/20 0.51
▸ CYP1A2 P05177 2/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ NOD2 Q9HC29 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ HPGD P15428 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ TP53 P04637 1/20 0.49
▸ PAX8 Q06710 2/20 0.48

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
SCHEMBL12545473 0.82 RAB9A (0.60) RAB9AKDM4EMAPTNPC1SMN1; SMN2
SCHEMBL18301586 0.82 ATP4A (0.56) RAB9AKDM4EMAPTNPC1SMN1; SMN2
SCHEMBL12545667 0.81 CYP1A2 (0.74) RAB9AKDM4EMAPTNPC1SMN1; SMN2
SCHEMBL26291732 0.78 APP (0.52) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL2432768 0.77 ALDH1A1 (0.53) RAB9AMAPTNPC1SMN1; SMN2GAA
SCHEMBL24019226 0.77 ALDH1A1 (0.46) RAB9AMAPTNPC1ALDH1A1KMT2A
SCHEMBL16125663 0.77 ALDH1A1 (0.46) RAB9AMAPTNPC1ALDH1A1KMT2A
SCHEMBL254038 0.75 ALDH1A1 (0.50) ALDH1A1KMT2AMAPK1CYP3A4MEN1
SCHEMBL12545650 0.75 MAPT (0.63) RAB9AKDM4EMAPTNPC1SMN1; SMN2
SCHEMBL5568975 0.74 RAB9A (0.64) RAB9AKDM4EMAPTNPC1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9000111-B2 Thermoplastic resin, organic-inorganic hybrid composition and optical parts FUJIFILM CORPORATION (JP) 2015-04-07 — — US disclosed
US-9000111-B2 Thermoplastic resin, organic-inorganic hybrid composition and optical parts FUJIFILM CORPORATION (JP) 2015-04-07 — — US disclosed
US-20110135903-A1 THERMOPLASTIC RESIN, ORGANIC-INORGANIC HYBRID COMPOSITION AND OPTICAL PARTS FUJIFILM CORPORATION (JP) 2011-06-09 — — US disclosed
US-20110135903-A1 THERMOPLASTIC RESIN, ORGANIC-INORGANIC HYBRID COMPOSITION AND OPTICAL PARTS FUJIFILM CORPORATION (JP) 2011-06-09 — — US disclosed
Send feedback