SCHEMBL30087205

SCHEMBL30087205

CC(C)(C)OC(=O)COc1cnc(Cl)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.40
PSEN2 P49810 3/20 0.40
APH1B Q8WW43 3/20 0.40
NCSTN Q92542 3/20 0.40
APH1A Q96BI3 3/20 0.40
PSENEN Q9NZ42 3/20 0.40
PTPN1 P18031 1/20 0.37
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
CNR1 P21554 1/20 0.35
CCNT1 O60563 1/20 0.35

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
SCHEMBL23702440 1.00 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL26424078 0.84 LMNA (0.46) MAPTLMNAHPGDKDM4EALDH1A1
SCHEMBL22588438 0.82 KDM4E (0.46) MAPTLMNAPOLBHPGDNPSR1
SCHEMBL22594436 0.80 ALDH1A1 (0.40) MAPTCYP2C19KDM4EALDH1A1
SCHEMBL22588114 0.79 LDHA (0.47) MAPTLMNAALDH1A1KMT2A
SCHEMBL19281442 0.79 PTPN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22602039 0.79 LDHA (0.35) MAPTSCN9ANPC1
SCHEMBL29689706 0.79 LDHA (0.47) MAPTLMNAALDH1A1KMT2A
SCHEMBL29689630 0.79 LDHA (0.35) MAPTSCN9ANPC1
SCHEMBL29241829 0.79 ATF4 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4117780-A1 MODULATORS OF THE INTEGRATED STRESS RESPONSE PATHWAY Evotec International GmbH (DE) 2023-01-18 EP disclosed
EP-4096665-A1 MODULATORS OF THE INTEGRATED STRESS RESPONSE PATHWAY Evotec International GmbH (DE) 2022-12-07 EP disclosed