SCHEMBL8138282

SCHEMBL8138282

O=C(O)c1ccc2c(c1)C(=O)CCS2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VHL P40337 1/20 0.58
ELOC Q15369 1/20 0.58
ELOB Q15370 1/20 0.58
GAA P10253 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
HTT P42858 2/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.43
TTR P02766 3/20 0.42
FOLH1 Q04609 1/20 0.42
PTPRC P08575 2/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
POLB P06746 2/20 0.40
MAPT P10636 1/20 0.40
TDP2 O95551 1/20 0.40
SRD5A1 P18405 3/20 0.39

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
Ethylene SCHEMBL8111230 0.97 VHL (0.55) VHLELOCELOBGAAKMT2A
SCHEMBL9522523 0.85 VHL (0.61) VHLELOCELOBGAAKMT2A
SCHEMBL13931149 0.83 HTT (0.55) GAAKMT2AHTTKDM4EALDH1A1
SCHEMBL2263868 0.81 ALDH1A1 (0.53) VHLELOCELOBGAAKMT2A
SCHEMBL27289982 0.78 VHL (0.49) VHLELOCELOBGAAKMT2A
SCHEMBL5956877 0.78 KDM4E (0.44) VHLELOCELOBGAAKMT2A
SCHEMBL7759522 0.77 ALDH1A1 (0.52) GAAKMT2AMEN1HTTKDM4E
SCHEMBL6592045 0.77 VHL (0.64) VHLELOCELOBHTTKDM4E
SCHEMBL8461891 0.75 RARG (0.57) KDM4EALDH1A1LMNAPOLB
SCHEMBL18214525 0.74 TTR (0.55) KMT2AMEN1ALDH1A1TTRPTPRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8378002-B2 Aqueous ink composition, aqueous ink composition for inkjet recording, and inkjet recording method FUJIFILM CORPORATION (JP) 2013-02-19 US disclosed
US-8378002-B2 Aqueous ink composition, aqueous ink composition for inkjet recording, and inkjet recording method FUJIFILM CORPORATION (JP) 2013-02-19 US disclosed
US-20100015360-A1 AQUEOUS INK COMPOSITION, AQUEOUS INK COMPOSITION FOR INKJET RECORDING, AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2010-01-21 US disclosed
US-6159904-A Pyrazole derivatives IDEMITSU KOSAN CO., LTD. (JP) 2000-12-12 US disclosed
EP-0970956-A1 PYRAZOLE DERIVATIVES IDEMITSU KOSAN COMPANY LIMITED (JP) 2000-01-12 EP disclosed
EP-0818455-A1 PYRAZOLE DERIVATIVES IDEMITSU KOSAN COMPANY LIMITED (JP) 1998-01-14 EP disclosed
EP-0420883-B1 TRICYCLIC 3-OXO-PROPANENITRILE DERIVATIVES AND PROCESS FOR THEIR PREPARATION ERBA CARLO SPA (IT) 1993-11-03 EP disclosed
US-5166152-A Immunostimulants, bactericides, viricides, antitumor agents FARMITALIA CARLO ERBA S.R.L. (IT) 1992-11-24 US disclosed
EP-0420883-A1 TRICYCLIC 3-OXO-PROPANENITRILE DERIVATIVES AND PROCESS FOR THEIR PREPARATION. ERBA CARLO SPA (IT) 1991-04-10 EP disclosed
WO-1989012638-A1 TRICYCLIC 3-OXO-PROPANENITRILE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.R.L. (IT) 1989-12-28 WO disclosed