SCHEMBL8559951

SCHEMBL8559951

CCCCCNC(=O)Cc1ccc(OCC(C)C(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ HPGD P15428 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ PDE4A P27815 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ HDAC10 Q969S8 1/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.51
▸ TRPV1 Q8NER1 1/20 0.50
▸ TSHR P16473 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC7 Q8WUI4 1/20 0.45

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
SCHEMBL8599971 0.88 HPGD (0.61) LMNAHPGDKDM4EKMT2A
SCHEMBL8559049 0.81 NPC1 (0.60) SMN1; SMN2KMT2A
SCHEMBL6017381 0.81 ADRB2 (0.63) LMNAKDM4ECYP1A2TSHR
SCHEMBL8609579 0.80 NPC1 (0.65) LMNAALDH1A1HPGDHDAC10HDAC6
SCHEMBL8594556 0.80 EPHX2 (0.60) LMNAALDH1A1HPGDTRPV1
SCHEMBL9321032 0.78 LMNA (0.62) LMNAALDH1A1HPGDKDM4ECYP1A2
SCHEMBL8411536 0.76 RAB9A (0.61) LMNAALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL1516136 0.75 HPGD (0.71) ALDH1A1HPGDTRPV1KMT2A
SCHEMBL5482435 0.75 PPARA (0.59) LMNAALDH1A1HPGDKDM4ECYP1A2
SCHEMBL8127958 0.75 TRPV1 (0.62) LMNAHPGDTRPV1KMT2A

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
US-5872282-A MAINTAIN OXYGEN AFFINITY IN BLOOD WHEN STORED VIRGINIA COMMONWEALTH UNIVERSITY (US) 1999-02-16 — — US disclosed
US-5731454-A Allosteric modifiers of hemoglobin useful for decreasing oxygen affinity and preserving oxygen carrying capability of stored blood VIRGINIA COMMONWEALTH UNIVERSITY (US) 1998-03-24 — — US disclosed
US-5705521-A Use of allosteric hemoglobin modifiers in combination with radiation therapy to treat carcinogenic tumors THE CENTER FOR INNOVATIVE TECHNOLOGY (US) 1998-01-06 — — US disclosed
US-5677330-A THERAPY HYPOXIA, HYPOTHERMIA, ISCHEMIC, WOUNDS, ULCERS, TISSUE TRANSPLANTS, SESPIS THE CENTER FOR INNOVATIVE TECHNOLOGY (US) 1997-10-14 — — US disclosed
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