SCHEMBL7770938

SCHEMBL7770938

C=CC(CC)C(=S)OCCCC

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.44
HPGD P15428 1/20 0.44
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
ATM Q13315 1/20 0.38
ALDH1A1 P00352 1/20 0.36
HCAR2 Q8TDS4 2/20 0.34
ESR1 P03372 1/20 0.31
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL7772484 0.80 CA12 (0.36) CA12CA1CA2CA9
SCHEMBL11805730 0.79 TSHR (0.55) TSHRHPGDCA1CA2ATM
SCHEMBL7772510 0.79 TSHR (0.46) TSHRHPGDCA12CA1CA2
SCHEMBL8022819 0.78
SCHEMBL7771288 0.76 TSHR (0.43) TSHRHPGDCA12CA1CA2
SCHEMBL7770926 0.75 TSHR (0.42) TSHRHPGDCA12CA1CA2
SCHEMBL7772601 0.74
SCHEMBL11514150 0.74 CA2 (0.45) TSHRHPGDCA12CA1CA2
SCHEMBL28113840 0.73 TSHR (0.49) TSHRHPGDATMALDH1A1HCAR2
SCHEMBL8032575 0.71 CA12 (0.53) TSHRHPGDCA12CA1CA2

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
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