SCHEMBL11032181

SCHEMBL11032181

CC=C(CC)Oc1ccc(C=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.51
ALDH1A1 P00352 7/20 0.48
CYP2A6 P11509 2/20 0.48
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
ALDH1A3 P47895 2/20 0.44
ALDH3A1 P30838 1/20 0.41
MEN1 O00255 2/20 0.40
KDM4E B2RXH2 2/20 0.40
PARP10 Q53GL7 1/20 0.40
PARP3 Q9Y6F1 1/20 0.40
STS P08842 1/20 0.39
ALDH5A1 P51649 1/20 0.39
ABAT P80404 1/20 0.39
RAB9A P51151 1/20 0.38

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
SCHEMBL8011415 0.81 CHRNB2 (0.44) KMT2AALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL1564782 0.79 KMT2A (0.68) KMT2AALDH1A1CYP2A6MAPTSMN1; SMN2
SCHEMBL8846153 0.77 ALDH1A1 (0.49) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL7029995 0.76 HSD17B10 (0.51) KMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL11584470 0.76 ALDH1A1 (0.49) KMT2AALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL11582556 0.76 F3 (0.60) KMT2AALDH1A1MAPTMEN1RAB9A
SCHEMBL4646694 0.75 KMT2A (0.53) KMT2AALDH1A1CYP2A6MAPTSMN1; SMN2
SCHEMBL4643258 0.75 KMT2A (0.56) KMT2AALDH1A1CYP2A6MAPTSMN1; SMN2
SCHEMBL4646086 0.74 KMT2A (0.56) KMT2AALDH1A1CYP2A6MAPTSMN1; SMN2
SCHEMBL11582054 0.74 SMN1; SMN2 (0.45) KMT2AALDH1A1MAPTSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59046241-A None JP disclosed
JP-S5946241-A PREPARATION OF ISOPRENYLCHALCONE TAISHO PHARMACEUT CO LTD 1984-03-15 JP disclosed
US-4085135-A ANTIULCER TAISHO PHARMACEUTICAL CO., LTD. (JA) 1978-04-18 US disclosed