SCHEMBL3614968

SCHEMBL3614968

CC(C)CO[Ti](OCC(C)C)(OCC(C)C)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.36
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
XBP1 P17861 1/20 0.35
MAOA P21397 2/20 0.33
PTGS1 P23219 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ELANE P08246 1/20 0.33
MEN1 O00255 1/20 0.33
ALOX12 P18054 1/20 0.33
KMT2A Q03164 1/20 0.33
RAB9A P51151 1/20 0.33
TAAR1 Q96RJ0 4/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL959288 0.75 LTA4H (0.37) ALDH1A1TSHRPOLBNPSR1MEN1
SCHEMBL3609530 0.70 ALDH1A1 (0.35) ALDH1A1TSHRLMNAMAOATAAR1
SCHEMBL20513398 0.67 ALDH1A1 (0.33) ALDH1A1TSHRHPGDLMNAMAPT
SCHEMBL20513392 0.67 ALDH1A1 (0.33) ALDH1A1TSHRHPGDLMNAMAPT
SCHEMBL482784 0.66 CA4 (0.41) ALDH1A1TSHRLMNAPOLBALOX12
SCHEMBL97377 0.65 LMNA (0.68) HPGDLMNAMAPTPOLBXBP1
SCHEMBL9178337 0.65 LMNA (0.68) HPGDLMNAMAPTPOLBXBP1
SCHEMBL20513994 0.65 ALDH1A1 (0.35) ALDH1A1TSHRHPGDLMNAMAPT
Toluene SCHEMBL28837417 0.64 LMNA (0.52) ALDH1A1TSHRHPGDLMNAMAPT
Ammonia Solution, Strong SCHEMBL28834669 0.64 LMNA (0.65) HPGDLMNAMAPTPOLBXBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7857990-B2 Calcium hypochlorite composition PPG INDUSTRIES OHIO, INC. (US) 2010-12-28 US disclosed
US-20080067468-A1 CALCIUM HYPOCHLORITE COMPOSITION PPG INDUSTRIES OHIO, INC. (US) 2008-03-20 US disclosed