SCHEMBL9601734

SCHEMBL9601734

OCCCNc1ccco1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
CDC25A P30304 1/20 0.40
HTT P42858 1/20 0.40
POLB P06746 2/20 0.40
RAD52 P43351 1/20 0.40
ALDH1A1 P00352 7/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 2/20 0.39
GLA P06280 1/20 0.39
NUDT1 P36639 1/20 0.39
KCNH3 Q9ULD8 1/20 0.38
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PDE4B Q07343 3/20 0.36
PDE7A Q13946 2/20 0.36
PDE2A O00408 1/20 0.36

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
SCHEMBL9869417 0.88
SCHEMBL9602501 0.82 ALDH1A1 (0.37) MAPTALDH1A1KDM4EHPGDPKM
SCHEMBL18912553 0.80 HRH3 (0.40) ALDH1A1PKMSMN1; SMN2ADORA3ADORA2A
SCHEMBL9601731 0.80 ALDH1A1 (0.38) MAPTHTTPOLBALDH1A1KMT2A
SCHEMBL23890604 0.80 HDAC3 (0.46) MAPTHTTPOLBALDH1A1KMT2A
SCHEMBL28209818 0.79
SCHEMBL11497654 0.78 ALDH1A1 (0.45) MAPTLMNAHTTPOLBALDH1A1
SCHEMBL2210122 0.75
Hydrochloric Acid SCHEMBL28933986 0.73 ALDH1A1 (0.39) MAPTLMNAPOLBALDH1A1KDM4E
SCHEMBL6517039 0.73 POLB (0.46) MAPTLMNACDC25AHTTPOLB

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
EP-0232623-B1 1-CARBACEPHALOSPORIN ANTIBIOTICS ELI LILLY AND COMPANY (US) 1993-03-17 EP disclosed
US-4892942-A 1-CARBA (DETHIA)CEPHALOSPORINS ELI LILLY AND COMPANY (US) 1990-01-09 US disclosed
US-4791106-A 1-Carbacephalosporin antibiotics ELI LILLY AND COMPANY (US) 1988-12-13 US disclosed
EP-0232623-A1 1-Carbacephalosporin antibiotics ELI LILLY AND COMPANY (US) 1987-08-19 EP disclosed