SCHEMBL4452178

SCHEMBL4452178

CCC(c1ccccc1)C(OP(O)O)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
TRPA1 O75762 1/20 0.36
KMT2A Q03164 7/20 0.35
MEN1 O00255 6/20 0.35
POLB P06746 2/20 0.35
GRIN1 Q05586 4/20 0.35
GRIN2A Q12879 4/20 0.35
GRIN2D O15399 3/20 0.35
GRIN2C Q14957 3/20 0.35
GRIN2B Q13224 2/20 0.35
FFAR1 O14842 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KCNN4 O15554 1/20 0.34

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
SCHEMBL4452175 0.87 LMNA (0.37) LMNACYP1A2CYP3A4CYP2C9TSHR
SCHEMBL8834479 0.83 MMP2 (0.39) KMT2AMEN1ALDH1A1
SCHEMBL28491863 0.81 LMNA (0.41) LMNACYP1A2CYP3A4CYP2C9TSHR
SCHEMBL4459729 0.80 ALDH1A1 (0.35) LMNACYP1A2CYP3A4CYP2C9TSHR
SCHEMBL705750 0.78 LMNA (0.38) LMNACYP1A2CYP3A4CYP2C9TSHR
SCHEMBL532851 0.77 LMNA (0.39) LMNACYP1A2CYP3A4CYP2C9TSHR
SCHEMBL9494144 0.77 CYP2D6 (0.41) CYP1A2CYP3A4CYP2C19KMT2APOLB
SCHEMBL4530142 0.77 LMNA (0.37) LMNACYP1A2CYP3A4CYP2C9TSHR
Ammonia Solution, Strong SCHEMBL8366918 0.76 LMNA (0.38) LMNACYP1A2CYP3A4CYP2C9TSHR
SCHEMBL3623440 0.76 LMNA (0.38) LMNACYP1A2CYP3A4CYP2C9TSHR

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-7612148-B2 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2009-11-03 US disclosed
US-20080146733-A1 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2008-06-19 US disclosed