SCHEMBL16390244

SCHEMBL16390244

O=C(C(=O)c1ccccc1SSc1ccccc1C(=O)C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.63
▸ CES2 O00748 12/20 0.58
▸ CES1 P23141 11/20 0.58
▸ RAB9A P51151 2/20 0.44
▸ AKR1C3 P42330 1/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA4 P22748 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ DAO P14920 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NAPRT Q6XQN6 1/20 0.41
▸ ALOX15 P16050 1/20 0.41

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
SCHEMBL2387804 0.88 CES2 (0.58) POLBCES2CES1RAB9AAKR1C3
SCHEMBL11720043 0.82 CES2 (0.52) POLBCES2CES1RAB9AAKR1C3
SCHEMBL8574337 0.82 CES2 (0.78) CES2CES1RAB9AAKR1C3ALDH1A1
SCHEMBL8376800 0.81 POLB (0.65) POLBRAB9AAKR1C3ALDH1A1
SCHEMBL144989 0.78 POLB (1.00) POLBRAB9AAKR1C3CA12CA1
SCHEMBL29380162 0.78 POLB (1.00) POLBRAB9AAKR1C3CA12CA1
Benzil SCHEMBL2156589 0.76 CES2 (1.00) POLBCES2CES1RAB9ACA12
Benzil SCHEMBL9517636 0.76 CES2 (1.00) POLBCES2CES1RAB9ACA12
Benzil SCHEMBL7142843 0.76 CES2 (1.00) POLBCES2CES1RAB9ACA12
Benzil SCHEMBL66 0.76 CES2 (1.00) POLBCES2CES1RAB9ACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9410106-B2 Lubricating oil composition IDEMITSU KOSAN CO., LTD. (JP) 2016-08-09 — — US disclosed
US-20150051128-A1 LUBRICATING OIL COMPOSITION IDEMITSU KOSAN CO., LTD. (JP) 2015-02-19 — — US disclosed
EP-2826847-A1 LUBRICATING OIL COMPOSITION Idemitsu Kosan Co., Ltd (JP) 2015-01-21 — — EP disclosed
Send feedback