SCHEMBL6937827

SCHEMBL6937827

CCC(=O)OC(=O)CCOc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 3/20 0.53
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
KMT2A Q03164 2/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
PKM P14618 1/20 0.49
ALDH1A1 P00352 3/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
CYP2D6 P10635 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL6700987 0.93 CYP1A2 (0.58) RECQLCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL27528801 0.86 MTNR1A (0.53) RECQLCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10552333 0.83 L3MBTL1 (0.59) RECQLCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL14317565 0.83 MTNR1A (0.50) RECQLCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL16673237 0.82 ALDH1A1 (0.58) CYP1A2CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL38664 0.82 LTA4H (0.60) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL868517 0.81 THRB (0.59) RECQLRAB9ANPC1KMT2ATP53
SCHEMBL1811389 0.81 RAB9A (0.59) RECQLCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9602821 0.81 ALOX15 (0.59) RECQLRAB9ANPC1KMT2AALDH1A1
SCHEMBL25282287 0.80 THRB (0.57) RECQLRAB9ANPC1KMT2ATP53

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
EP-0972776-B1 A phosphine sulfide, a manufacturing process therefor and a use thereof MITSUI CHEMICALS INC (JP) 2003-04-23 EP disclosed
US-6153794-A Phosphine sulfide, a manufacturing process therefor and use thereof MITSUI CHEMICALS, INC. (JP) 2000-11-28 US disclosed
CN-1262276-A Phosphine sulfide preparing process and use thereof MITSUI CHEMICALS INC (JP) 2000-08-09 CN disclosed
EP-0972776-A1 A phosphine sulfide, a manufacturing process therefor and a use thereof Mitsui Chemicals, Inc. (JP) 2000-01-19 EP disclosed