SCHEMBL11117922

SCHEMBL11117922

O=C1CCCN1c1ccc2c(c1)OCCO2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
KMT2A Q03164 3/20 0.51
GRK2 P25098 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
ALDH1A1 P00352 6/20 0.49
KDM4E B2RXH2 1/20 0.48
HPGD P15428 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
CYP11B2 P19099 1/20 0.46
AKR1C3 P42330 2/20 0.45
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL10876568 0.90 CMA1 (0.56) LMNASMN1; SMN2KMT2AALDH1A1KDM4E
SCHEMBL11110045 0.86 CMA1 (0.54) LMNASMN1; SMN2KMT2AALDH1A1KDM4E
SCHEMBL12445273 0.84 LMNA (0.51) LMNASMN1; SMN2KMT2AALDH1A1KDM4E
SCHEMBL11110414 0.77 ALDH1A1 (0.45) LMNASMN1; SMN2KMT2AALDH1A1KDM4E
SCHEMBL11118270 0.77 CYP17A1 (0.46) LMNASMN1; SMN2KMT2AALDH1A1KDM4E
SCHEMBL11118161 0.77 ALDH1A1 (0.45) LMNASMN1; SMN2KMT2AALDH1A1KDM4E
SCHEMBL11142367 0.76 ALDH1A1 (0.74) SMN1; SMN2ALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL11082663 0.74 ALDH1A1 (0.45) LMNASMN1; SMN2KMT2AALDH1A1KDM4E
SCHEMBL11082661 0.74 ALDH1A1 (0.45) LMNASMN1; SMN2KMT2AALDH1A1KDM4E
SCHEMBL11114977 0.74 ALDH1A1 (0.52) SMN1; SMN2KMT2AGRK2CTDSP1ALDH1A1

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-0106988-A1 Pharmacologically active lactam derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1984-05-02 EP claimed
EP-0106988-A1 Pharmacologically active lactam derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1984-05-02 EP disclosed