SCHEMBL30102496

SCHEMBL30102496

CCOc1ccc(C(=O)Cl)cc1C(=O)Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.50
USP2 O75604 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CREBBP Q92793 2/20 0.49
TSHR P16473 2/20 0.49
MAPK1 P28482 1/20 0.47
LMNA P02545 2/20 0.47
CYP3A4 P08684 1/20 0.43
HDAC1 Q13547 2/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
POLB P06746 2/20 0.42
CASP6 P55212 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
RORC P51449 1/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL7962680 0.90 CREBBP (0.62) NPC1USP2RAB9ASMN1; SMN2HSD17B10
SCHEMBL184107 0.86 TSHR (0.60) NPC1USP2RAB9ASMN1; SMN2HSD17B10
SCHEMBL7922567 0.84 SMN1; SMN2 (0.42) NPC1USP2RAB9ASMN1; SMN2HSD17B10
SCHEMBL4365371 0.83 MAPT (0.37) TSHRLMNAMEN1KMT2ATDP1
SCHEMBL15423768 0.83 KCNMA1 (0.48) NPC1USP2RAB9ASMN1; SMN2HSD17B10
SCHEMBL4729840 0.83 KDM4E (0.57) HSD17B10TSHRLMNACYP3A4HCRTR1
SCHEMBL3385153 0.83 TSHR (0.50) NPC1USP2RAB9ASMN1; SMN2TSHR
SCHEMBL14648189 0.83 TAS1R3 (0.60) NPC1USP2RAB9ASMN1; SMN2HSD17B10
SCHEMBL11287767 0.81 MRGPRX1 (0.49) NPC1USP2RAB9ASMN1; SMN2HSD17B10
SCHEMBL3388324 0.81 PTGDR2 (0.53) RAB9ASMN1; SMN2HSD17B10TSHRLMNA

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
CN-112892235-B Preparation method of chlorine-resistant antibacterial low-pressure polyamide composite nanofiltration membrane 德州学院 2023-01-24 CN claimed
CN-112892235-B Preparation method of chlorine-resistant antibacterial low-pressure polyamide composite nanofiltration membrane 德州学院 2023-01-24 CN disclosed