SCHEMBL20116002

SCHEMBL20116002

Cc1cc(O)c2c(c1)OC(C)(C)CC2=O

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.74
RAB9A P51151 5/20 0.53
NPC1 O15118 4/20 0.53
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 2/20 0.53
GAA P10253 1/20 0.53
HPGD P15428 1/20 0.53
HTT P42858 1/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 2/20 0.49
TSHR P16473 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MITF O75030 1/20 0.45
NR2F2 P24468 1/20 0.45
TP53 P04637 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
SCHEMBL1146705 0.85 ALDH1A1 (1.00) ALDH1A1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL68894 0.83 TSHR (0.60) ALDH1A1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL10482619 0.83 ALDH1A1 (0.72) ALDH1A1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL11380576 0.80 ALDH1A1 (0.68) ALDH1A1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL4506446 0.80 ALDH1A1 (0.68) ALDH1A1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL4518634 0.78 ALDH1A1 (0.65) ALDH1A1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL3030839 0.77 ALDH1A1 (0.74) ALDH1A1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL10367142 0.77 ALDH1A1 (0.63) ALDH1A1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL18202408 0.76 ALDH1A1 (0.48) ALDH1A1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL20480462 0.75 ALDH1A1 (0.62) ALDH1A1RAB9ANPC1LMNASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019209948-A9 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-01-02 WO disclosed
WO-2019018795-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2019-01-24 WO disclosed
WO-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 WO disclosed