SCHEMBL7774754

SCHEMBL7774754

C=COCC(=O)OCCCC

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.55
HPGD P15428 1/20 0.55
ATM Q13315 1/20 0.48
NAAA Q02083 1/20 0.47
ALDH1A1 P00352 2/20 0.47
HCAR2 Q8TDS4 2/20 0.43
DGKA P23743 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
RAD52 P43351 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
FAAH O00519 1/20 0.40
HTR2C P28335 1/20 0.39
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 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
SCHEMBL7774763 0.83 TSHR (0.53) TSHRHPGDATMNAAAALDH1A1
SCHEMBL3364135 0.82 ATM (0.50) TSHRHPGDATMNAAAALDH1A1
SCHEMBL7767047 0.81 DGKA (0.53) TSHRHPGDATMNAAAALDH1A1
SCHEMBL20261873 0.80 TSHR (0.50) TSHRHPGDATMNAAAALDH1A1
SCHEMBL7770911 0.79
SCHEMBL195751 0.79 ALDH1A1 (0.54) TSHRHPGDATMNAAAALDH1A1
SCHEMBL1656040 0.79 TSHR (0.75) TSHRHPGDATMNAAAALDH1A1
SCHEMBL7767124 0.78 TSHR (0.52) TSHRHPGDATMNAAAALDH1A1
Ammonia Solution, Strong SCHEMBL28863008 0.78 ALDH1A1 (0.52) TSHRHPGDATMNAAAALDH1A1
SCHEMBL21275447 0.77 ALDH1A1 (0.56) TSHRHPGDATMNAAAALDH1A1

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
WO-2020245229-A1 ACETAL-BASED CLEAVABLE LINKERS SYNAFFIX B.V. (NL) 2020-12-10 WO disclosed
EP-0711813-B1 Antifouling coating composition HITACHI CHEMICAL CO LTD (JP) 2001-07-25 EP disclosed
US-5773508-A BIODEGRADABLE POLYMER OF ADDITION COPOLYMERS FOR PROTECTIVE COATINGS HITACHI CHEMICAL COMPANY, LTD. (JP) 1998-06-30 US disclosed
EP-0711813-A2 Coating varnish composition and antifouling coating composition Hitachi Chemical Co., Ltd. (JP) 1996-05-15 EP disclosed