SCHEMBL7788633

SCHEMBL7788633

O=C(O)CS(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.50
MMP7 P09237 1/20 0.50
MMP14 P50281 1/20 0.50
CYP2C19 P33261 1/20 0.47
HSD11B1 P28845 5/20 0.45
MMP12 P39900 1/20 0.44
MMP13 P45452 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 1/20 0.43
AKR1B1 P15121 1/20 0.42
HTR6 P50406 1/20 0.42
PSIP1 O75475 1/20 0.41
KMT2A Q03164 1/20 0.40

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
SCHEMBL15572342 0.98 MMP2 (0.48) MMP2MMP7MMP14CYP2C19HSD11B1
SCHEMBL15572783 0.98 MMP2 (0.48) MMP2MMP7MMP14CYP2C19HSD11B1
SCHEMBL15571582 0.98 MMP2 (0.48) MMP2MMP7MMP14CYP2C19HSD11B1
SCHEMBL15573613 0.98 MMP2 (0.48) MMP2MMP7MMP14CYP2C19HSD11B1
SCHEMBL544367 0.79 MAPK1 (0.54) HSD11B1TSHRSMN1; SMN2KMT2A
SCHEMBL270706 0.78 MMP2 (0.77) MMP2MMP7MMP14HSD11B1SMN1; SMN2
SCHEMBL6553661 0.76 MMP2 (0.74) MMP2MMP7MMP14HSD11B1SMN1; SMN2
SCHEMBL21253179 0.76 HSD11B1 (0.47) MMP2MMP7MMP14CYP2C19HSD11B1
Ammonia Solution, Strong SCHEMBL20473391 0.76 MMP2 (0.74) MMP2MMP7MMP14HSD11B1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL8418478 0.76 MMP2 (0.74) MMP2MMP7MMP14HSD11B1SMN1; SMN2

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
EP-0735422-B1 Radiation-sensitive composition containing plasticizer CLARIANT FINANCE BVI LTD (VG) 2001-11-14 EP disclosed
EP-0735422-A1 Radiation-sensitive composition containing plasticizer HOECHST INDUSTRY LIMITED (JP) 1996-10-02 EP disclosed