SCHEMBL15329853

SCHEMBL15329853

O=CCC(=O)c1ccc2c(c1)OCCCO2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.68
TSHR P16473 2/20 0.59
PKM P14618 1/20 0.59
NPC1 O15118 5/20 0.58
RAB9A P51151 5/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
HPGD P15428 2/20 0.58
CASP3 P42574 1/20 0.58
SENP8 Q96LD8 1/20 0.58
SENP7 Q9BQF6 1/20 0.58
SENP6 Q9GZR1 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
ATM Q13315 1/20 0.58
CTNNB1 P35222 6/20 0.54
WNT3A P56704 3/20 0.52
KDM4E B2RXH2 1/20 0.52
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52

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
SCHEMBL2554034 0.94 TSHR (0.67) ALDH1A1TSHRPKMNPC1RAB9A
SCHEMBL15331533 0.87 CTNNB1 (0.60) ALDH1A1TSHRPKMNPC1RAB9A
SCHEMBL6604049 0.85 ALDH1A1 (0.74) ALDH1A1TSHRPKMNPC1RAB9A
SCHEMBL4259988 0.81 ALDH1A1 (1.00) ALDH1A1TSHRPKMNPC1RAB9A
SCHEMBL14144501 0.81 ATM (0.87) ALDH1A1TSHRPKMNPC1RAB9A
SCHEMBL2985748 0.81 ALDH1A1 (0.68) ALDH1A1TSHRPKMNPC1RAB9A
SCHEMBL10091954 0.78 HPGD (0.88) ALDH1A1TSHRPKMNPC1RAB9A
SCHEMBL5207347 0.78 PKM (0.72) ALDH1A1TSHRPKMSMN1; SMN2HPGD
SCHEMBL653025 0.76 PKM (0.87) ALDH1A1TSHRPKMHPGDATM
SCHEMBL3064183 0.76 ALDH1A1 (0.72) ALDH1A1TSHRPKMNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed